COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK889205
Chemical Name: (2E)-1-[(7E)-7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-3-(thiophen-2-yl)prop-2-en-1-one
Smiles: Clc1ccc(cc1)C1N(N=C2C1CCC/C/2=C\c1ccc(cc1)Cl)C(=O)/C=C/c1cccs1

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Molecular Weight: 493.46
Empirical Formula: C27H22Cl2N2OS

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 7.373
Rotatable bonds: 2
H-donors: 0
H-acceptors: 1
PSA: 60
Number of rings: 5

     

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