General Information of the Compound
| Compound ID |
CP0196177
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| Compound Name |
N-[[1-(2-benzhydryloxyethyl)piperidin-3-yl]methyl]-3-phenylpropan-1-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 |
C(CNCC1CCCN(CCOC(c2ccccc2)c2ccccc2)C1)Cc1ccccc1
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| InChI |
InChI=1S/C30H38N2O/c1-4-12-26(13-5-1)14-10-20-31-24-27-15-11-21-32(25-27)22-23-33-30(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-9,12-13,16-19,27,30-31H,10-11,14-15,20-25H2
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| InChIKey |
FDTFUBJUWHYSGU-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