Compound ID	CP0066194
Compound Name	N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropan-1-amine     Show/Hide
Structure
Formula	C28H33NO4
Molecular Weight	447.575
Canonical SMILES	COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3OCOc3c2)cc1OC     Show/Hide
InChI	InChI=1S/C28H33NO4/c1-30-25-12-10-23(19-27(25)31-2)14-17-29(16-6-9-22-7-4-3-5-8-22)18-15-24-11-13-26-28(20-24)33-21-32-26/h3-5,7-8,10-13,19-20H,6,9,14-18,21H2,1-2H3     Show/Hide
InChIKey	SGVJKODGLNRNLW-UHFFFAOYSA-N
Physicochemical Property	logP 5.1525 Rotatable Bonds 12 Heavy Atom Count 33 Polar Areas 40.16 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5 Complexity 33 "RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count).     Show/Hide
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PubChem ID	CID: 127035062
ChEMBL ID	CHEMBL3735756

Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity