COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL124599
Chemical Name: 3-(1,3-benzodioxol-5-ylmethyl)-8-chloro-N,N,2-trimethyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Smiles: Clc1ccc2c(c1)C1NC(=S)N(C(O2)(C1C(=O)N(C)C)C)Cc1ccc2c(c1)OCO2

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Molecular Weight: 459.95
Empirical Formula: C22H22ClN3O4S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 3.5
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 95
Number of rings: 5

     

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