COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL531522
Chemical Name: 3-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-6-methylheptan-1-amine
Smiles: CC(CCC(c1ccc2c(c1)OCO2)CCNCc1ccc2c(c1)OCO2)C

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Saltdata: HCl
Molecular Weight: 383.49
Empirical Formula: C23H29NO4

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 5.598
Rotatable bonds: 9
H-donors: 1
H-acceptors: 4
PSA: 48
Number of rings: 4

     

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