COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL410881
Chemical Name: 5-{2-oxo-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethyl}pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one
Smiles: O=C(N1CCN(CC1)Cc1ccccn1)CN1c2cccnc2Sc2c(C1=O)cccc2

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Saltdata: 2 HCl
Molecular Weight: 445.55
Empirical Formula: C24H23N5O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.81
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 94
Number of rings: 5

     

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