COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK326887
Chemical Name: 3-[(2-{4-[(4-chlorophenyl)acetyl]piperazin-1-yl}ethyl)amino]-5,5-dimethylcyclohex-2-en-1-one
Smiles: O=C1C=C(NCCN2CCN(CC2)C(=O)Cc2ccc(cc2)Cl)CC(C1)(C)C

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Molecular Weight: 403.95
Empirical Formula: C22H30ClN3O2

Physical State: Dry powder
Available Amount: 61 mg

Lipinsky:
logP: 3.253
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 52
Number of rings: 3

     

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