COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK823293
Chemical Name: 2-[(5Z)-5-(1-{2-[(3-methylphenyl)amino]-2-oxoethyl}-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]ethanesulfonicacid
Smiles: Cc1cccc(c1)NC(=O)CN1c2ccccc2/C(=C\2/SC(=S)N(C2=O)CCS(=O)(=O)O)/C1=O

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Saltdata: 4/5 CH3COOH
Molecular Weight: 517.61
Empirical Formula: C22H19N3O6S3

Physical State: Dry powder
Available Amount: 88 mg

Lipinsky:
logP: -0.346
Rotatable bonds: 6
H-donors: 2
H-acceptors: 6
PSA: 189
Number of rings: 4

     

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