General Information of the Compound
| Compound ID |
CP0153250
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| Compound Name |
4-(4-chloro-2-methoxyphenoxy)-3-(methylaminomethyl)benzamide
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| Structure |
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| Formula |
C16H17ClN2O3
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| Molecular Weight |
320.776
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| Canonical SMILES |
CNCc1cc(ccc1Oc1ccc(Cl)cc1OC)C(N)=O
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| InChI |
InChI=1S/C16H17ClN2O3/c1-19-9-11-7-10(16(18)20)3-5-13(11)22-14-6-4-12(17)8-15(14)21-2/h3-8,19H,9H2,1-2H3,(H2,18,20)
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| InChIKey |
VXYNDBOWMKXSIO-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