COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL351311
Chemical Name: N,N-dimethyl-8-nitropyrimido[4,5-b][1,4]benzothiazepin-4-amine
Smiles: CN(c1ncnc2c1N=Cc1c(S2)ccc(c1)[N+](=O)[O-])C

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Molecular Weight: 301.33
Empirical Formula: C13H11N5O2S

Physical State: Dry powder
Available Amount: 106 mg

Lipinsky:
logP: 1.183
Rotatable bonds: 0
H-donors: 0
H-acceptors: 2
PSA: 112
Number of rings: 3

     

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