Details of the Drug

General Information of Drug (ID: DM28IKN)

Drug Name

RWJ-387273

Synonyms

R-290629; oral PDE 5 inhibitor (erectile dysfunction), Johnson & Johnson

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

381.4

Logarithm of the Partition Coefficient (xlogp)

3.7

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C24H19N3O2
IUPAC Name: (3R)-3-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
Canonical SMILES: C1COC2=C1C=C(C=C2)[C@@H]3C4=C(CN3C5=CC=CC=N5)C(=O)C6=CC=CC=C6N4
InChI: InChI=1S/C24H19N3O2/c28-24-17-5-1-2-6-19(17)26-22-18(24)14-27(21-7-3-4-11-25-21)23(22)16-8-9-20-15(13-16)10-12-29-20/h1-9,11,13,23H,10,12,14H2,(H,26,28)/t23-/m1/s1
InChIKey: NPQHDOLBQQVPMG-HSZRJFAPSA-N