COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045205
Chemical Name: 2,4-dibromo-6-[(Z)-{[3-(tert-butoxycarbonyl)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]imino}methyl]phenolate
Smiles: Brc1cc(/C=N\c2sc3c(c2C(=O)OC(C)(C)C)CC[NH+](C3)C)c(c(c1)Br)[O-]

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Molecular Weight: 530.28
Empirical Formula: C20H22Br2N2O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.948
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 94
Number of rings: 3

     

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