General Information of the Compound
| Compound ID |
CP0489268
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| Compound Name |
6-(4-methylphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C27H26N4O
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| Molecular Weight |
422.532
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| Canonical SMILES |
Cc1ccc(cc1)-c1ccc(cn1)C(=O)Nc1ccc2cc(CN3CCCC3)cnc2c1
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| InChI |
InChI=1S/C27H26N4O/c1-19-4-6-21(7-5-19)25-11-9-23(17-29-25)27(32)30-24-10-8-22-14-20(16-28-26(22)15-24)18-31-12-2-3-13-31/h4-11,14-17H,2-3,12-13,18H2,1H3,(H,30,32)
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| InChIKey |
KLVCXDDJHLESAO-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