COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK016036
Chemical Name: (2E)-N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-(4-chloro-3-nitrophenyl)prop-2-enamide
Smiles: O=C(Nc1cc(ccc1C)c1nc2c(s1)cccc2)/C=C/c1ccc(c(c1)[N+](=O)[O-])Cl

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Molecular Weight: 449.92
Empirical Formula: C23H16ClN3O3S

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 6.802
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 116
Number of rings: 4

     

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