COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK809608
Chemical Name: 4-nitro-N-{2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]ethyl}benzamide
Smiles: N#Cc1c(sc2c1CCCC2)NC(C(Cl)(Cl)Cl)NC(=O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 473.77
Empirical Formula: C18H15Cl3N4O3S

Physical State: Dry powder
Available Amount: 98 mg

Lipinsky:
logP: 6.233
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 138
Number of rings: 3

     

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