COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK904645
Chemical Name: (2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(1,3-benzothiazol-2-yl)prop-2-enenitrile
Smiles: N#C/C(=C\c1c(nc2n(c1=O)cccc2)N1CCCCCC1)/c1nc2c(s1)cccc2

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Molecular Weight: 427.53
Empirical Formula: C24H21N5OS

Physical State: Dry powder
Available Amount: 398 mg

Lipinsky:
logP: 3.974
Rotatable bonds: 2
H-donors: 0
H-acceptors: 1
PSA: 100
Number of rings: 5

     

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