COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL063211
Chemical Name: (2E)-3-(2-chlorophenyl)-N-({4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}carbamothioyl)prop-2-enamide
Smiles: CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)/C=C/c1ccccc1Cl

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Molecular Weight: 479.02
Empirical Formula: C21H23ClN4O3S2

Physical State: Dry powder
Available Amount: 155 mg

Lipinsky:
logP: 4.156
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 122
Number of rings: 3

     

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