COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK814982
Chemical Name: 6-[(5Z)-5-(1-{2-[(2,5-dimethylphenyl)amino]-2-oxoethyl}-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoicacid
Smiles: OC(=O)CCCCCN1C(=S)S/C(=C\2/c3ccccc3N(C2=O)CC(=O)Nc2cc(C)ccc2C)/C1=O

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Saltdata: 1/3CH3COOH
Molecular Weight: 537.66
Empirical Formula: C27H27N3O5S2

Physical State: Dry powder
Available Amount: 103 mg

Lipinsky:
logP: 2.466
Rotatable bonds: 9
H-donors: 2
H-acceptors: 5
PSA: 164
Number of rings: 4

     

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