COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK220375
Chemical Name: 3-chloro-N-{3-methoxy-4-[(2-methylpropanoyl)amino]phenyl}-7-nitro-1-benzothiophene-2-carboxamide
Smiles: COc1cc(ccc1NC(=O)C(C)C)NC(=O)c1sc2c(c1Cl)cccc2[N+](=O)[O-]

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Molecular Weight: 447.9
Empirical Formula: C20H18ClN3O5S

Physical State: Dry powder
Available Amount: 385 mg

Lipinsky:
logP: 4.094
Rotatable bonds: 3
H-donors: 2
H-acceptors: 5
PSA: 141
Number of rings: 3

     

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