General Information of the Compound
| Compound ID |
CP0130302
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| Compound Name |
1-(2-benzhydryloxyethyl)-N-methyl-N-(3-phenylpropyl)piperidin-4-amine
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| Structure |
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| Formula |
C30H38N2O
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| Molecular Weight |
442.647
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| Canonical SMILES |
CN(CCCc1ccccc1)C1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
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| InChI |
InChI=1S/C30H38N2O/c1-31(21-11-14-26-12-5-2-6-13-26)29-19-22-32(23-20-29)24-25-33-30(27-15-7-3-8-16-27)28-17-9-4-10-18-28/h2-10,12-13,15-18,29-30H,11,14,19-25H2,1H3
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| InChIKey |
QYIDZGIRYRGUNF-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