General Information of the Compound
| Compound ID |
CP0435090
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| Compound Name |
US9120771, KHG26776
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| Structure |
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| Formula |
C17H17Cl2NO
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| Molecular Weight |
322.235
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| Canonical SMILES |
Cc1ccc(OC(C2CNC2)c2ccc(Cl)c(Cl)c2)cc1
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| InChI |
InChI=1S/C17H17Cl2NO/c1-11-2-5-14(6-3-11)21-17(13-9-20-10-13)12-4-7-15(18)16(19)8-12/h2-8,13,17,20H,9-10H2,1H3
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| InChIKey |
XWYMOFXPTGWSON-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