COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK107907
Chemical Name: (2E)-2-cyano-3-{1-[4-(cyclopentylamino)-3-nitrophenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-N-(thiophen-2-ylmethyl)prop-2-enamide
Smiles: N#C/C(=C\c1cc(n(c1C)c1ccc(c(c1)[N+](=O)[O-])NC1CCCC1)C)/C(=O)NCc1cccs1

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Molecular Weight: 489.6
Empirical Formula: C26H27N5O3S

Physical State: Dry powder
Available Amount: 357 mg

Lipinsky:
logP: 6.015
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 143
Number of rings: 4

     

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