Mrv1718012121822412D          

 31 33  0  0  0  0            999 V2000
    1.7309   -2.5302    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -2.9427    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3019   -2.5302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    2.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    2.4197    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3019    2.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7308   -1.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    0.7697    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -2.9427    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3019   -1.7052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3019    3.2447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0163    2.0072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4453   -1.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -1.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414    2.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414    1.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4453   -0.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -0.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7308   -0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1269   -2.5302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164    1.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7308    0.7697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559    0.7697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1269   -1.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -2.9427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -1.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559   -2.5302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559   -1.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559   -2.5302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.2447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  7  1  1  0  0  0  0
  3  2  1  0  0  0  0
  9  3  1  0  0  0  0
 11  3  2  0  0  0  0
  6  4  1  0  0  0  0
  5  4  1  0  0  0  0
 10  4  2  0  0  0  0
 16  5  2  0  0  0  0
 13  6  1  0  0  0  0
 12  6  2  0  0  0  0
 14  7  2  0  0  0  0
 15  7  1  0  0  0  0
 10  8  1  0  0  0  0
 17  8  2  0  0  0  0
 21  9  1  0  0  0  0
 22 13  1  0  0  0  0
 18 14  1  0  0  0  0
 19 15  2  0  0  0  0
 17 16  1  0  0  0  0
 24 17  1  0  0  0  0
 20 18  2  0  0  0  0
 20 19  1  0  0  0  0
 23 20  1  0  0  0  0
 25 21  1  0  0  0  0
 26 21  1  0  0  0  0
 23 22  1  0  0  0  0
 27 25  1  0  0  0  0
 28 26  1  0  0  0  0
 29 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30  1  2  0  0  0  0
 31  1  2  0  0  0  0
M  END
> <DATABASE_ID>
DB01067

> <DATABASE_NAME>
drugbank

> <SMILES>
CC1=NC=C(N=C1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1

> <INCHI_IDENTIFIER>
InChI=1S/C21H27N5O4S/c1-15-13-24-19(14-23-15)20(27)22-12-11-16-7-9-18(10-8-16)31(29,30)26-21(28)25-17-5-3-2-4-6-17/h7-10,13-14,17H,2-6,11-12H2,1H3,(H,22,27)(H2,25,26,28)

> <INCHI_KEY>
ZJJXGWJIGJFDTL-UHFFFAOYSA-N

> <FORMULA>
C21H27N5O4S

> <MOLECULAR_WEIGHT>
445.535

> <EXACT_MASS>
445.178375067

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
58

> <JCHEM_AVERAGE_POLARIZABILITY>
47.61833591764637

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N-[2-(4-{[(cyclohexylcarbamoyl)amino]sulfonyl}phenyl)ethyl]-5-methylpyrazine-2-carboxamide

> <ALOGPS_LOGP>
1.83

> <JCHEM_LOGP>
1.4266122779999995

> <ALOGPS_LOGS>
-4.43

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
13.870435150472748

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.3202023815308

> <JCHEM_PKA_STRONGEST_BASIC>
0.06130207911766217

> <JCHEM_POLAR_SURFACE_AREA>
130.15

> <JCHEM_REFRACTIVITY>
115.61779999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.64e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
glipizide

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB01067

> <SECONDARY_ACCESSION_NUMBERS>
APRD00436

> <DRUG_GROUPS>
approved; investigational

> <GENERIC_NAME>
Glipizide

> <SYNONYMS>
1-cyclohexyl-3-({p-[2-(5-methylpyrazinecarboxamido)ethyl]phenyl}sulfonyl)urea; Glipizida; Glipizide; Glipizidum; N-{4-[β-(5-methylpyrazine-2-carboxamido)ethyl]benzenesulphonyl}-N'-cyclohexylurea

> <PRODUCTS>
GLIPIZIDE and METFORMIN HYDROCHLORIDE; GlipiZIDE and Metformin Hydrochloride; Glipizide; Glipizide ER; Glipizide XL; Glipizide and Metformin HCl; Glipizide and Metformin Hydrochloride; Glipizide and metformin hcl; GlipizideER ER; Glipizideer ER; Glucotrol; Glucotrol XL; Metaglip

> <INTERNATIONAL_BRANDS>
Aldiab; Digrin; Dipazide; Glibenese; Glibénèse; Glibetin; Glican; Glidiab; Glipid; Glipin; Glix; Gluco-Rite; Glucolip; Glucozide; Glupitel; Glupizide; Glyde; Glydiazinamide; Melizide; Mindiab; Minidab; Minidiab; Minodiab; Napizide; Ozidia; Sucrazide; Zitrol XR

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