General Information of the Compound
| Compound ID |
CP0431535
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| Compound Name |
4-(3,4-dichlorobenzyl)-3-((dimethylamino)methyl)benzamide
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| Structure |
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| Formula |
C17H18Cl2N2O
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| Molecular Weight |
337.25
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| Canonical SMILES |
CN(C)Cc1cc(ccc1Cc1ccc(Cl)c(Cl)c1)C(N)=O
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| InChI |
InChI=1S/C17H18Cl2N2O/c1-21(2)10-14-9-13(17(20)22)5-4-12(14)7-11-3-6-15(18)16(19)8-11/h3-6,8-9H,7,10H2,1-2H3,(H2,20,22)
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| InChIKey |
XKDQGWQMRLNJCO-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