COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK131349
Chemical Name: 2-{3-[(1Z)-2-cyano-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoicacid
Smiles: N#C/C(=C/c1cc(n(c1C)c1ccccc1C(=O)O)C)/C(=O)NCCc1c[nH]c2c1cccc2

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Molecular Weight: 452.51
Empirical Formula: C27H24N4O3

Physical State: Dry powder
Available Amount: 271 mg

Lipinsky:
logP: 4.549
Rotatable bonds: 7
H-donors: 3
H-acceptors: 3
PSA: 110
Number of rings: 4

     

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