5212
  Mrv1909 03102001452D          

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    1.0929   -0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
DB00203

> <DATABASE_NAME>
drugbank

> <SMILES>
CCCC1=NN(C)C2=C1N=C(NC2=O)C1=CC(=CC=C1OCC)S(=O)(=O)N1CCN(C)CC1

> <INCHI_IDENTIFIER>
InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)

> <INCHI_KEY>
BNRNXUUZRGQAQC-UHFFFAOYSA-N

> <FORMULA>
C22H30N6O4S

> <MOLECULAR_WEIGHT>
474.576

> <EXACT_MASS>
474.204924168

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
63

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.0894909149974746

> <JCHEM_AVERAGE_POLARIZABILITY>
51.17739859334627

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-1-methyl-3-propyl-1H,4H,7H-pyrazolo[4,3-d]pyrimidin-7-one

> <ALOGPS_LOGP>
1.80

> <JCHEM_LOGP>
1.869200771666667

> <ALOGPS_LOGS>
-3.01

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.144857276991443

> <JCHEM_PKA_STRONGEST_BASIC>
5.992873256489963

> <JCHEM_POLAR_SURFACE_AREA>
109.13

> <JCHEM_REFRACTIVITY>
139.44050000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.60e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ENTA

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00203

> <SECONDARY_ACCESSION_NUMBERS>
APRD00556

> <DRUG_GROUPS>
approved; investigational

> <GENERIC_NAME>
Sildenafil

> <SYNONYMS>
1-((3-(4,7-Dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo(4,3-d)pyrimidin-5-yl)-4-ethoxyphenyl)sulfonyl)-4-methylpiperazine; Sildenafil; Sildenafilo

> <PRODUCTS>
Accel-sildenafil; Act Sildenafil; Ag-sildenafil; Ag-sildenafil Tablets; Apo-sildenafil; Apo-sildenafil R; Auro-sildenafil; Bio-sildenafil; Dom-sildenafil; Gd-sildenafil; Granpidam; Ipg-sildenafil; Jamp Sildenafil Tablets; Jamp-sildenafil; Jamp-sildenafil R; Liqrev; M-sildenafil; Mar-sildenafil; Mint-sildenafil; Myl-sildenafil; Mylan-sildenafil; Mysildecard; Nra-sildenafil; PMS-sildenafil; PMS-sildenafil R; Pb-sildenafil; Priva-sildenafil; Prv-sildenafil; Prz-sildenafil; Ran-sildenafil; Ratio-sildenafil; Revatio; Riva-sildenafil; Sandoz Sildenafil; Sildenafil; Sildenafil Actavis; Sildenafil Citrate; Sildenafil R; Sildenafil Ratiopharm; Sildenafil Tablets; Sildenafil Teva; Sildenafil for Oral Suspension; Teva-sildenafil; Teva-sildenafil R; Uph-sildenafil; Van-sildenafil; Viagra; Vizarsin; sildenafil CITRATE

> <SALTS>
Sildenafil citrate

$$$$