COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK048075
Chemical Name: (2E)-1-[(7E)-7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-3-(4-chlorophenyl)prop-2-en-1-one
Smiles: Clc1ccc(cc1)C1N(N=C2C1CCC/C/2=C\c1ccc(cc1)Cl)C(=O)/C=C/c1ccc(cc1)Cl

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Molecular Weight: 521.87
Empirical Formula: C29H23Cl3N2O

Physical State: Dry powder
Available Amount: 401 mg

Lipinsky:
logP: 8.082
Rotatable bonds: 1
H-donors: 0
H-acceptors: 1
PSA: 32
Number of rings: 5

     

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