COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL505838
Chemical Name: N-benzyl-2-({(E)-[5-nitro-2-(pyrimidin-2-ylsulfanyl)phenyl]methylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Smiles: O=C(c1c(/N=C/c2cc(ccc2Sc2ncccn2)[N+](=O)[O-])sc2c1CCCC2)NCc1ccccc1

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Molecular Weight: 529.64
Empirical Formula: C27H23N5O3S2

Physical State: Dry powder
Available Amount: 434 mg

Lipinsky:
logP: 6.617
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 166
Number of rings: 5

     

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