COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK706860
Chemical Name: (2Z)-2-cyano-3-[3-(3-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-N-[3-(1H-imidazol-1-yl)propyl]prop-2-enamide
Smiles: CCOc1cccc(c1)c1nn(cc1/C=C(\C(=O)NCCCn1cncc1)/C#N)c1ccccc1

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Saltdata: 1/3CH3COOH
Molecular Weight: 466.54
Empirical Formula: C27H26N6O2

Physical State: Dry powder
Available Amount: 392 mg

Lipinsky:
logP: 3.552
Rotatable bonds: 9
H-donors: 1
H-acceptors: 2
PSA: 97
Number of rings: 4

     

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