General Information of the Compound
| Compound ID |
CP0462673
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| Compound Name |
4-(4-chlorophenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide
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| Structure |
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| Formula |
C26H29ClN4O
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| Molecular Weight |
448.998
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| Canonical SMILES |
Clc1ccc(cc1)C1CCN(CC1)C(=O)Nc1ccc2cc(CN3CCCC3)cnc2c1
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| InChI |
InChI=1S/C26H29ClN4O/c27-23-6-3-20(4-7-23)21-9-13-31(14-10-21)26(32)29-24-8-5-22-15-19(17-28-25(22)16-24)18-30-11-1-2-12-30/h3-8,15-17,21H,1-2,9-14,18H2,(H,29,32)
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| InChIKey |
WLBXFMNETGMZFI-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: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01027, Melanin-concentrating hormone receptor 1