Details of the Drug

General Information of Drug (ID: DMJ7F1Q)

Drug Name

Piperazine derivative 1

Synonyms

PMID26161824-Compound-129

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): 1

Molecular Weight (mw)

504.4

Logarithm of the Partition Coefficient (xlogp)

2.9

Rotatable Bond Count (rotbonds)

9

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C24H27Cl2N5O3
IUPAC Name: 1-[2-[(3R)-4-[2-chloro-4-(2-hydroxyethoxy)phenyl]-3-(4-chlorophenyl)piperazin-1-yl]ethyl]imidazole-4-carboxamide
Canonical SMILES: C1CN([C@@H](CN1CCN2C=C(N=C2)C(=O)N)C3=CC=C(C=C3)Cl)C4=C(C=C(C=C4)OCCO)Cl
InChI: InChI=1S/C24H27Cl2N5O3/c25-18-3-1-17(2-4-18)23-15-29(7-8-30-14-21(24(27)33)28-16-30)9-10-31(23)22-6-5-19(13-20(22)26)34-12-11-32/h1-6,13-14,16,23,32H,7-12,15H2,(H2,27,33)/t23-/m0/s1
InChIKey: LYKRPBPENHGRNR-QHCPKHFHSA-N