COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK881292
Chemical Name: ethyl1-{3-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-3-carboxylate
Smiles: CCOC(=O)C1CCCN(C1)c1nc2c(C)cccn2c(=O)c1/C=C(/c1nc2c(s1)cccc2)\C#N

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Molecular Weight: 499.59
Empirical Formula: C27H25N5O3S

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 4.195
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 127
Number of rings: 5

     

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