COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK790940
Chemical Name: methyl(2Z)-5-amino-6-(1,3-benzothiazol-2-yl)-2-(4-chlorobenzylidene)-7-(4-chlorophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
Smiles: COC(=O)C1=c2s/c(=C\c3ccc(cc3)Cl)/c(=O)n2C(=C(C1c1ccc(cc1)Cl)c1nc2c(s1)cccc2)N

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Molecular Weight: 592.53
Empirical Formula: C29H19Cl2N3O3S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.735
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 139
Number of rings: 6

     

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