COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL112567
Chemical Name: (2Z)-2-{[(7E)-7-(4-methoxybenzylidene)-3-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]carbonyl}-3-(4-nitrophenyl)prop-2-enenitrile
Smiles: COc1ccc(cc1)C1N(N=C2C1CCC/C/2=C\c1ccc(cc1)OC)C(=O)/C(=C\c1ccc(cc1)[N+](=O)[O-])/C#N

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Molecular Weight: 548.6
Empirical Formula: C32H28N4O5

Physical State: Dry powder
Available Amount: 59 mg

Lipinsky:
logP: 5.782
Rotatable bonds: 1
H-donors: 0
H-acceptors: 5
PSA: 120
Number of rings: 5

     

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