COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK183134
Chemical Name: methyl3-{3-[(1E)-2-cyano-3-oxo-3-(4-phenylpiperazin-1-yl)prop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}-4-methylbenzoate
Smiles: N#C/C(=C\c1cc(n(c1C)c1cc(ccc1C)C(=O)OC)C)/C(=O)N1CCN(CC1)c1ccccc1

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Molecular Weight: 482.58
Empirical Formula: C29H30N4O3

Physical State: Dry powder
Available Amount: 578 mg

Lipinsky:
logP: 4.809
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 78
Number of rings: 4

     

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