COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK001424
Chemical Name: (4Z)-4-(4-tert-butylbenzylidene)-5-{[(4-chlorophenyl)sulfanyl]methyl}-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: Clc1ccc(cc1)SCC1=NN(C(=O)/C/1=C\c1ccc(cc1)C(C)(C)C)c1ccccc1

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Molecular Weight: 461.03
Empirical Formula: C27H25ClN2OS

Physical State: Dry powder
Available Amount: 287 mg

Lipinsky:
logP: 8.438
Rotatable bonds: 2
H-donors: 0
H-acceptors: 1
PSA: 57
Number of rings: 4

     

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