COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK028878
Chemical Name: (2E)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]-3-[4-(methylsulfanyl)phenyl]prop-2-enamide
Smiles: N#C/C(=C\c1ccc(cc1)SC)/C(=O)NCCc1c[nH]c2c1cccc2

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Molecular Weight: 361.47
Empirical Formula: C21H19N3OS

Physical State: Dry powder
Available Amount: 452 mg

Lipinsky:
logP: 3.577
Rotatable bonds: 4
H-donors: 2
H-acceptors: 1
PSA: 93
Number of rings: 3

     

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