COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK183136
Chemical Name: (2E)-2-cyano-3-{2,5-dimethyl-1-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)phenyl]-1H-pyrrol-3-yl}-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
Smiles: N#C/C(=C\c1cc(n(c1C)c1ccc(cc1)C12CC3CC(C2)CC(C1)C3)C)/C(=O)NCCc1c[nH]c2c1cccc2

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Molecular Weight: 542.72
Empirical Formula: C36H38N4O

Physical State: Dry powder
Available Amount: 291 mg

Lipinsky:
logP: 8.215
Rotatable bonds: 5
H-donors: 2
H-acceptors: 1
PSA: 73
Number of rings: 8

     

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