2092
  Mrv0541 02231214372D          

 28 30  0  0  1  0            999 V2000
    2.2021    0.5338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6703   -0.3681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5841   -0.8006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5841    0.8893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3847    0.8694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2427    0.8694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6717    0.8694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9571   -0.3681    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6717   -1.6057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9558    0.8694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8696    1.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    1.8614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6703    0.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0993    0.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8137    0.8694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5282    0.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9571    0.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2427    1.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3861   -0.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3861    0.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6717   -0.7806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1236   -0.8093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1236    0.8979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8712   -0.3853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8712    0.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5809   -1.6256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5809    1.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 13  1  0  0  0  0
  2 14  2  0  0  0  0
  3 25  1  0  0  0  0
  3 27  1  0  0  0  0
  4 26  1  0  0  0  0
  4 28  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 18  2  0  0  0  0
  7 21  1  0  0  0  0
  8 18  1  0  0  0  0
  8 22  2  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
> <DATABASE_ID>
DB00346

> <DATABASE_NAME>
drugbank

> <SMILES>
COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N(C)CCCNC(=O)C1CCCO1

> <INCHI_IDENTIFIER>
InChI=1S/C19H27N5O4/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23)

> <INCHI_KEY>
InChIKey=WNMJYKCGWZFFKR-UHFFFAOYSA-N

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
42.708839226430484

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_EXACT_MASS>
389.206304377

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C19H27N5O4

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N-{3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)(methyl)amino]propyl}oxolane-2-carboxamide

> <ALOGPS_LOGP>
2.02

> <JCHEM_LOGP>
1.1875362089999997

> <ALOGPS_LOGS>
-3.14

> <JCHEM_MASS>
389.4488

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.63969532465731

> <JCHEM_PKA_STRONGEST_BASIC>
7.303379443951849

> <JCHEM_POLAR_SURFACE_AREA>
111.83000000000001

> <JCHEM_REFRACTIVITY>
107.11410000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.82e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
alfuzosin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00346

> <DRUG_GROUPS>
approved; investigational

> <GENERIC_NAME>
Alfuzosin

> <SYNONYMS>
(±)-N-[3-[(4-amino-6,7-dimethoxy-2-quinazolinyl)methylamino]propyl]tetrahydro-2-furamide ; Alfuzosin; Alfuzosina; Alfuzosine; Alfuzosinum; N-[3-[(4-amino-6,7-dimethoxy-quinazolin-2-yl)- methyl-amino]propyl] tetrahydrofuran- 2-carboxamide

> <BRANDS>
Alcinin; Alfasin XR; Alfetim; Alfoo; Alfu; Alfuran; Alfusozina; Flotral; Fual; Profuzo; Rantral; Uriten; Uroxatral; Xantral; Xatral; Xelflo; Zatral

> <SALTS>
Alfuzosin Hydrochloride

$$$$