COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK112468
Chemical Name: (2E)-2-cyano-N-(2,5-dimethylphenyl)-3-{4-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-3-nitrophenyl}prop-2-enamide
Smiles: N#C/C(=C\c1ccc(c(c1)[N+](=O)[O-])Sc1nc(C)cc(n1)C)/C(=O)Nc1cc(C)ccc1C

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Molecular Weight: 459.53
Empirical Formula: C24H21N5O3S

Physical State: Dry powder
Available Amount: 145 mg

Lipinsky:
logP: 5.586
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 149
Number of rings: 3

     

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