COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK336457
Chemical Name: (2E)-3-(4-chloro-3-nitrophenyl)-N-({4-[4-(thiophen-2-ylcarbonyl)piperazin-1-yl]phenyl}carbamothioyl)prop-2-enamide
Smiles: S=C(Nc1ccc(cc1)N1CCN(CC1)C(=O)c1cccs1)NC(=O)/C=C/c1ccc(c(c1)[N+](=O)[O-])Cl

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Molecular Weight: 556.07
Empirical Formula: C25H22ClN5O4S2

Physical State: Dry powder
Available Amount: 165 mg

Lipinsky:
logP: 3.748
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 170
Number of rings: 4

     

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