Mrv0541 05071314012D          

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   18.6519   -7.3140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   18.2535   -6.0400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.2627   -5.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
DB08822

> <DATABASE_NAME>
drugbank

> <SMILES>
CCOC1=NC2=C(N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NOC(=O)N1)C(=CC=C2)C(=O)OCC1=C(C)OC(=O)O1

> <INCHI_IDENTIFIER>
InChI=1S/C30H24N4O8/c1-3-38-28-31-23-10-6-9-22(27(35)39-16-24-17(2)40-30(37)41-24)25(23)34(28)15-18-11-13-19(14-12-18)20-7-4-5-8-21(20)26-32-29(36)42-33-26/h4-14H,3,15-16H2,1-2H3,(H,32,33,36)

> <INCHI_KEY>
InChIKey=QJFSABGVXDWMIW-UHFFFAOYSA-N

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_AVERAGE_POLARIZABILITY>
57.72969691881576

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_EXACT_MASS>
568.159413764

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C30H24N4O8

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(5-methyl-2-oxo-2H-1,3-dioxol-4-yl)methyl 2-ethoxy-1-({4-[2-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]phenyl}methyl)-1H-1,3-benzodiazole-7-carboxylate

> <ALOGPS_LOGP>
4.94

> <JCHEM_LOGP>
6.0344982279999995

> <ALOGPS_LOGS>
-4.91

> <JCHEM_MASS>
568.5336

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.210067351109982

> <JCHEM_PKA_STRONGEST_BASIC>
1.7461108232107339

> <JCHEM_POLAR_SURFACE_AREA>
139.57000000000002

> <JCHEM_REFRACTIVITY>
149.51829999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.03e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
azilsartan medoxomil

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB08822

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Azilsartan medoxomil

> <SYNONYMS>
Azilsartan; Azilsartan kamedoxomil; Azilsartan medoxomilo; Azilsartanum medoxomilum

> <BRANDS>
Edarbi

$$$$