COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK889195
Chemical Name: (3-chlorophenyl)[(7E)-3-(thiophen-2-yl)-7-(thiophen-2-ylmethylidene)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
Smiles: Clc1cccc(c1)C(=O)N1N=C2C(C1c1cccs1)CCC/C/2=C\c1cccs1

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Molecular Weight: 439
Empirical Formula: C23H19ClN2OS2

Physical State: Dry powder
Available Amount: 61 mg

Lipinsky:
logP: 5.747
Rotatable bonds: 3
H-donors: 0
H-acceptors: 1
PSA: 89
Number of rings: 5

     

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