COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK383601
Chemical Name: 2-[(azepan-1-ylacetyl)amino]-6-tert-butyl-N-(3-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Smiles: O=C(Nc1sc2c(c1C(=O)Nc1cccc(c1)[N+](=O)[O-])CCC(C2)C(C)(C)C)CN1CCCCCC1

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Molecular Weight: 512.67
Empirical Formula: C27H36N4O4S

Physical State: Dry powder
Available Amount: 602 mg

Lipinsky:
logP: 8.457
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 135
Number of rings: 4

     

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