COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL505073
Chemical Name: 6-tert-butyl-2-({(E)-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Smiles: N#Cc1c(/N=C/c2cc(ccc2N2CCN(CC2)C)[N+](=O)[O-])sc2c1CCC(C2)C(C)(C)C

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Molecular Weight: 465.62
Empirical Formula: C25H31N5O2S

Physical State: Dry powder
Available Amount: 125 mg

Lipinsky:
logP: 6.243
Rotatable bonds: 1
H-donors: 0
H-acceptors: 2
PSA: 116
Number of rings: 4

     

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