COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK669323
Chemical Name: 4-{4-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl}1-{4-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl}2-nitrobenzene-1,4-dicarboxylate
Smiles: S=C1S/C(=C/c2ccc(cc2)OC(=O)c2ccc(c(c2)[N+](=O)[O-])C(=O)Oc2ccc(cc2)/C=C/2\SC(=S)NC2=O)/C(=O)N1

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Molecular Weight: 649.71
Empirical Formula: C28H15N3O8S4

Physical State: Dry powder
Available Amount: 2 mg

Lipinsky:
logP: 4.124
Rotatable bonds: 4
H-donors: 2
H-acceptors: 8
PSA: 271
Number of rings: 5

     

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