General Information of the Compound
| Compound ID |
CP0375527
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| Compound Name |
N'-(2-benzhydryloxyethyl)-N,N'-dimethyl-N-(3-phenylpropyl)propane-1,3-diamine
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| Structure |
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| Formula |
C29H38N2O
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| Molecular Weight |
430.636
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| Canonical SMILES |
CN(CCCN(C)CCOC(c1ccccc1)c1ccccc1)CCCc1ccccc1
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| InChI |
InChI=1S/C29H38N2O/c1-30(21-12-16-26-14-6-3-7-15-26)22-13-23-31(2)24-25-32-29(27-17-8-4-9-18-27)28-19-10-5-11-20-28/h3-11,14-15,17-20,29H,12-13,16,21-25H2,1-2H3
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| InChIKey |
WGJCAKQLYZFCSH-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