General Information of the Compound
| Compound ID |
CP0405089
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| Compound Name |
N'-(2-benzhydryloxyethyl)-N,N'-dimethyl-N-(2-phenylethyl)propane-1,3-diamine
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| Structure |
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| Formula |
C28H36N2O
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| Molecular Weight |
416.609
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| Canonical SMILES |
CN(CCCN(C)CCc1ccccc1)CCOC(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C28H36N2O/c1-29(22-19-25-13-6-3-7-14-25)20-12-21-30(2)23-24-31-28(26-15-8-4-9-16-26)27-17-10-5-11-18-27/h3-11,13-18,28H,12,19-24H2,1-2H3
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| InChIKey |
FFZXXMKWEGRDRF-UHFFFAOYSA-N
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| Physicochemical Property |
"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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Map of Molecular Bioactivity Related to the Compound
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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 |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter