COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK381806
Chemical Name: 3-{[(2Z,5Z)-3-butyl-5-(5-chloro-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino}-4-(ethylamino)benzonitrile
Smiles: CCCCN1/C(=N/c2cc(C#N)ccc2NCC)/S/C(=c/2\sc3c(n2C)cc(cc3)Cl)/C1=O

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Molecular Weight: 498.07
Empirical Formula: C24H24ClN5OS2

Physical State: Dry powder
Available Amount: 672 mg

Lipinsky:
logP: 4.552
Rotatable bonds: 4
H-donors: 1
H-acceptors: 1
PSA: 122
Number of rings: 4

     

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