General Information of the Compound
| Compound ID |
CP0490758
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| Compound Name |
US9120771, KHG26766
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| Structure |
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| Formula |
C16H16ClNO
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| Molecular Weight |
273.763
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| Canonical SMILES |
Clc1ccc(cc1)C(Oc1ccccc1)C1CNC1
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| InChI |
InChI=1S/C16H16ClNO/c17-14-8-6-12(7-9-14)16(13-10-18-11-13)19-15-4-2-1-3-5-15/h1-9,13,16,18H,10-11H2
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| InChIKey |
NCKCPBMYSKVDRC-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