General Information of the Compound
| Compound ID |
CP0064065
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| Compound Name |
4-(2,4-dichlorophenoxy)-3-(methylaminomethyl)benzonitrile
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| Structure |
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| Formula |
C15H12Cl2N2O
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| Molecular Weight |
307.18
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| Canonical SMILES |
CNCc1cc(ccc1Oc1ccc(Cl)cc1Cl)C#N
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| InChI |
InChI=1S/C15H12Cl2N2O/c1-19-9-11-6-10(8-18)2-4-14(11)20-15-5-3-12(16)7-13(15)17/h2-7,19H,9H2,1H3
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| InChIKey |
GGDZOYZQDNYTKY-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