COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK706144
Chemical Name: (2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(2,4-dichlorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Smiles: N#C/C(=C\c1c(Oc2ccc(cc2Cl)Cl)nc2n(c1=O)cccc2C)/c1nc2c(s1)cccc2

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Molecular Weight: 505.38
Empirical Formula: C25H14Cl2N4O2S

Physical State: Dry powder
Available Amount: 403 mg

Lipinsky:
logP: 6.113
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 106
Number of rings: 5

     

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