COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK993154
Chemical Name: 2-chloro-1-[(7E)-7-(4-ethoxybenzylidene)-3-(4-ethoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone
Smiles: CCOc1ccc(cc1)/C=C/1\CCCC2C1=NN(C2c1ccc(cc1)OCC)C(=O)CCl

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Molecular Weight: 452.98
Empirical Formula: C26H29ClN2O3

Physical State: Dry powder
Available Amount: 104 mg

Lipinsky:
logP: 4.885
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 51
Number of rings: 4

     

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