COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK136462
Chemical Name: (2E)-2-cyano-3-(3,5-dichloro-4-hydroxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
Smiles: N#C/C(=C\c1cc(Cl)c(c(c1)Cl)O)/C(=O)NCCc1c[nH]c2c1cccc2

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Molecular Weight: 400.26
Empirical Formula: C20H15Cl2N3O2

Physical State: Dry powder
Available Amount: 231 mg

Lipinsky:
logP: 3.699
Rotatable bonds: 5
H-donors: 3
H-acceptors: 2
PSA: 88
Number of rings: 3

     

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