General Information of the Compound
| Compound ID |
CP0513477
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| Compound Name |
N-[3-(4-phenylpiperazin-1-yl)propyl]quinoline-2-carboxamide
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| Structure |
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| Formula |
C23H26N4O
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| Molecular Weight |
374.488
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| Canonical SMILES |
O=C(NCCCN1CCN(CC1)c1ccccc1)c1ccc2ccccc2n1
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| InChI |
InChI=1S/C23H26N4O/c28-23(22-12-11-19-7-4-5-10-21(19)25-22)24-13-6-14-26-15-17-27(18-16-26)20-8-2-1-3-9-20/h1-5,7-12H,6,13-18H2,(H,24,28)
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| InChIKey |
FYWOGSJQPYYLGX-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: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter