General Information of the Compound
| Compound ID |
CP0443830
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| Compound Name |
US9120771, KHG26772
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| Structure |
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| Formula |
C17H16ClNO2
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| Molecular Weight |
301.773
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| Canonical SMILES |
Clc1ccc(cc1)C(OC(=O)c1ccccc1)C1CNC1
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| InChI |
InChI=1S/C17H16ClNO2/c18-15-8-6-12(7-9-15)16(14-10-19-11-14)21-17(20)13-4-2-1-3-5-13/h1-9,14,16,19H,10-11H2
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| InChIKey |
GIJCWXXZCNTEQX-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