COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK020713
Chemical Name: N-(4-chlorophenyl)-4-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]ethyl}piperazine-1-carboxamide
Smiles: O=C1C=C(NCCN2CCN(CC2)C(=O)Nc2ccc(cc2)Cl)CC(C1)(C)C

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Molecular Weight: 404.94
Empirical Formula: C21H29ClN4O2

Physical State: Dry powder
Available Amount: 499 mg

Lipinsky:
logP: 3.032
Rotatable bonds: 2
H-donors: 2
H-acceptors: 2
PSA: 64
Number of rings: 3

     

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