COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK294747
Chemical Name: 3-chloro-N-[2-(4-methylphenyl)-2H-benzotriazol-5-yl]-7-nitro-1-benzothiophene-2-carboxamide
Smiles: Cc1ccc(cc1)n1nc2c(n1)cc(cc2)NC(=O)c1sc2c(c1Cl)cccc2[N+](=O)[O-]

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Molecular Weight: 463.9
Empirical Formula: C22H14ClN5O3S

Physical State: Dry powder
Available Amount: 96 mg

Lipinsky:
logP: 6.928
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 133
Number of rings: 5

     

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