General Information of the Compound
| Compound ID |
CP0471847
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| Compound Name |
N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]quinoline-2-carboxamide
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| Structure |
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| Formula |
C22H25N5O
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| Molecular Weight |
375.476
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| Canonical SMILES |
O=C(NCCCN1CCN(CC1)c1ccccn1)c1ccc2ccccc2n1
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| InChI |
InChI=1S/C22H25N5O/c28-22(20-10-9-18-6-1-2-7-19(18)25-20)24-12-5-13-26-14-16-27(17-15-26)21-8-3-4-11-23-21/h1-4,6-11H,5,12-17H2,(H,24,28)
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| InChIKey |
CUPYWIZBSCPASC-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