General Information of the Compound
| Compound ID |
CP0108780
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| Compound Name |
CHEMBL1644470
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| Formula |
C18H20N2O
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| Molecular Weight |
280.371
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| Canonical SMILES |
C1C[C@@H]2C[C@H](C[C@H]1N2)Oc1cccc(n1)-c1ccccc1
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| InChI |
InChI=1S/C18H20N2O/c1-2-5-13(6-3-1)17-7-4-8-18(20-17)21-16-11-14-9-10-15(12-16)19-14/h1-8,14-16,19H,9-12H2/t14-,15+,16-
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| InChIKey |
OTYQXOHDRTWMJY-MUJYYYPQSA-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