COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK364636
Chemical Name: 4-(2-{(E)-[(2Z)-3-cyclohexyl-2-(cyclohexylimino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-1H-pyrrol-1-yl)benzoicacid
Smiles: O=C1/C(=C\c2cccn2c2ccc(cc2)C(=O)O)/S/C(=N\C2CCCCC2)/N1C1CCCCC1

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Molecular Weight: 477.63
Empirical Formula: C27H31N3O3S

Physical State: Dry powder
Available Amount: 228 mg

Lipinsky:
logP: 6.017
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 100
Number of rings: 5

     

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