General Information of the Compound
| Compound ID |
CP0487133
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| Compound Name |
3,5-dichloro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
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| Structure |
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| Formula |
C18H21Cl2N5O
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| Molecular Weight |
394.306
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| Canonical SMILES |
Clc1cc(Cl)cc(c1)C(=O)NCCCN1CCN(CC1)c1ncccn1
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| InChI |
InChI=1S/C18H21Cl2N5O/c19-15-11-14(12-16(20)13-15)17(26)21-5-2-6-24-7-9-25(10-8-24)18-22-3-1-4-23-18/h1,3-4,11-13H,2,5-10H2,(H,21,26)
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| InChIKey |
FJIIQQZRTHPVPO-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