General Information of the Compound
| Compound ID |
CP0486459
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| Compound Name |
3,5-dichloro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide
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| Structure |
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| Formula |
C19H22Cl2N4O
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| Molecular Weight |
393.318
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| Canonical SMILES |
Clc1cc(Cl)cc(c1)C(=O)NCCCN1CCN(CC1)c1ccccn1
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| InChI |
InChI=1S/C19H22Cl2N4O/c20-16-12-15(13-17(21)14-16)19(26)23-6-3-7-24-8-10-25(11-9-24)18-4-1-2-5-22-18/h1-2,4-5,12-14H,3,6-11H2,(H,23,26)
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| InChIKey |
TXYKBPIZJBXZPO-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