COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK688045
Chemical Name: N-(1,3-benzodioxol-4-ylmethyl)-2-[2,2-dimethyl-4-(propan-2-yl)tetrahydro-2H-pyran-4-yl]ethanamine
Smiles: CC(C1(CCNCc2cccc3c2OCO3)CCOC(C1)(C)C)C

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

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.461
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 39
Number of rings: 3

     

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