COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL016954
Chemical Name: 2-amino-6-tert-butyl-N-(2-chloro-5-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Smiles: O=C(c1c(N)sc2c1CCC(C2)C(C)(C)C)Nc1cc(ccc1Cl)[N+](=O)[O-]

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Molecular Weight: 407.92
Empirical Formula: C19H22ClN3O3S

Physical State: Dry powder
Available Amount: 2400 mg

Lipinsky:
logP: 7.083
Rotatable bonds: 1
H-donors: 3
H-acceptors: 3
PSA: 129
Number of rings: 3

     

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