Details of the Drug

General Information of Drug (ID: DM9A8L5)

Drug Name

N-phenyl-5-phenyl-pyrazolin-3-yl amide derivative 1

Synonyms

PMID26161824-Compound-100

Indication

Disease Entry	ICD 11	Status	REF
Obesity	5B81	Patented	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 2

Molecular Weight (mw)

509.8

Logarithm of the Partition Coefficient (xlogp)

6.2

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C23H23Cl3N4O3
IUPAC Name: ethyl 1-[[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carbonyl]amino]pyrrolidine-2-carboxylate
Canonical SMILES: CCOC(=O)C1CCCN1NC(=O)C2=NN(C(C2)C3=CC=C(C=C3)Cl)C4=C(C=C(C=C4)Cl)Cl
InChI: InChI=1S/C23H23Cl3N4O3/c1-2-33-23(32)20-4-3-11-29(20)28-22(31)18-13-21(14-5-7-15(24)8-6-14)30(27-18)19-10-9-16(25)12-17(19)26/h5-10,12,20-21H,2-4,11,13H2,1H3,(H,28,31)
InChIKey: SXZDWKSALIBFCB-UHFFFAOYSA-N