975
  Mrv0541 02231215092D          

 36 39  0  0  0  0            999 V2000
   10.7229    0.4549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2844    2.9244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -2.8734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930   -0.3983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1079   -1.6644    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655    1.6642    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8650   -0.4155    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    0.4267    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1174    0.8678    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655   -0.8108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5779    0.8592    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -0.8108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3887   -2.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8176   -2.0851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799    2.0767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    2.0767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3792   -2.8935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8081   -2.9101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799    2.9018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    2.9018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0888   -3.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655    3.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1174   -0.8394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655    0.8392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799    0.4267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799   -0.3983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8650    0.4439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509   -0.3983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2939    0.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5747    1.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -1.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -0.3983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0068    0.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2876    2.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -2.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.8108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 33  1  0  0  0  0
  2 34  1  0  0  0  0
  3 35  1  0  0  0  0
  4 36  1  0  0  0  0
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  5 14  1  0  0  0  0
  5 23  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 24  1  0  0  0  0
  7 23  2  0  0  0  0
  7 27  1  0  0  0  0
  8 24  2  0  0  0  0
  8 28  1  0  0  0  0
  9 25  1  0  0  0  0
  9 27  2  0  0  0  0
 10 26  1  0  0  0  0
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 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
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 20 22  1  0  0  0  0
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 25 26  2  0  0  0  0
 29 33  1  0  0  0  0
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 31 35  1  0  0  0  0
 32 36  1  0  0  0  0
M  END
> <DATABASE_ID>
DB00975

> <DATABASE_NAME>
drugbank

> <SMILES>
OCCN(CCO)C1=NC2=C(N=C(N=C2N2CCCCC2)N(CCO)CCO)C(=N1)N1CCCCC1

> <INCHI_IDENTIFIER>
InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2

> <INCHI_KEY>
InChIKey=IZEKFCXSFNUWAM-UHFFFAOYSA-N

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
56.93560309238033

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_EXACT_MASS>
504.317251808

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C24H40N8O4

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(piperidin-1-yl)pyrimido[5,4-d][1,3]diazin-2-yl}(2-hydroxyethyl)amino)ethan-1-ol

> <ALOGPS_LOGP>
1.52

> <JCHEM_LOGP>
1.8063892579999996

> <ALOGPS_LOGS>
-2.74

> <JCHEM_MASS>
504.6256

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.397674874739518

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.971635374201803

> <JCHEM_PKA_STRONGEST_BASIC>
6.587026987047743

> <JCHEM_POLAR_SURFACE_AREA>
145.44

> <JCHEM_REFRACTIVITY>
142.77939999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.22e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dipyridamole

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00975

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Dipyridamole

> <SYNONYMS>
Dipyridamine; Dipyudamine; Dypyridamol

> <BRANDS>
Agilease; Cardoxin; Cleridium 150; Curantyl; Persantin; Persantine

$$$$