COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK588037
Chemical Name: 3-(1,3-benzodioxol-5-yl)-6-methyl-N-(tetrahydrofuran-2-ylmethyl)heptan-1-amine
Smiles: CC(CCC(c1ccc2c(c1)OCO2)CCNCC1CCCO1)C

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Saltdata: (COOH)2
Molecular Weight: 333.47
Empirical Formula: C20H31NO3

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 3.793
Rotatable bonds: 9
H-donors: 1
H-acceptors: 3
PSA: 39
Number of rings: 3

     

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