COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK830354
Chemical Name: (7E)-7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazole-2-carbothioamide
Smiles: Clc1ccc(cc1)/C=C/1\CCCC2C1=NN(C2c1ccc(cc1)Cl)C(=S)N

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Molecular Weight: 416.37
Empirical Formula: C21H19Cl2N3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.914
Rotatable bonds: 0
H-donors: 2
H-acceptors: 0
PSA: 73
Number of rings: 4

     

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