COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK868421
Chemical Name: 2-({[4-chloro-2-(phenylcarbonyl)phenyl]amino}methylidene)-5-(4-methoxyphenyl)cyclohexane-1,3-dione
Smiles: COc1ccc(cc1)C1CC(=O)/C(=C/Nc2ccc(cc2C(=O)c2ccccc2)Cl)/C(=O)C1

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Molecular Weight: 459.93
Empirical Formula: C27H22ClNO4

Physical State: Dry powder
Available Amount: 324 mg

Lipinsky:
logP: 5.529
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 72
Number of rings: 4

     

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