COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK030247
Chemical Name: (2E)-2-cyano-N-(2,3-dimethylphenyl)-3-[1-(2-ethyl-6-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enamide
Smiles: N#C/C(=C\c1cc(n(c1C)c1c(C)cccc1CC)C)/C(=O)Nc1cccc(c1C)C

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Molecular Weight: 411.55
Empirical Formula: C27H29N3O

Physical State: Dry powder
Available Amount: 138 mg

Lipinsky:
logP: 7.538
Rotatable bonds: 3
H-donors: 1
H-acceptors: 1
PSA: 57
Number of rings: 3

     

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