COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK870418
Chemical Name: 7-(ethoxycarbonyl)-4-(methoxycarbonyl)-5a,6,7,8,9,9a-hexahydro-6,9-methanopyrido[2,1-b][1,3]benzothiazol-10-ium
Smiles: CCOC(=O)C1CC2CC1C1C2[n+]2c(S1)c(ccc2)C(=O)OC

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Saltdata: Cl-
Molecular Weight: 334.42
Empirical Formula: C17H20NO4S

Physical State: Dry powder
Available Amount: 34 mg

Lipinsky:
logP: -3.3
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 81
Number of rings: 4

     

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