COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK885806
Chemical Name: ethyl4-{[(6-{[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-phenyl-1,4-dihydropyridin-3-yl)carbonyl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)C1=C(C)NC(=C(C1c1ccccc1)C#N)SCC(=O)Nc1nc2c(s1)cccc2

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Molecular Weight: 609.73
Empirical Formula: C32H27N5O4S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 6.843
Rotatable bonds: 6
H-donors: 3
H-acceptors: 4
PSA: 186
Number of rings: 5

     

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