General Information of the Compound
| Compound ID |
CP0497236
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| Compound Name |
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[(4-phenoxyphenyl)carbamoylamino]benzamide
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| Structure |
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| Formula |
C27H30N4O3
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| Molecular Weight |
458.562
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| Canonical SMILES |
CCN1CCCC1CNC(=O)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
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| InChI |
InChI=1S/C27H30N4O3/c1-2-31-18-6-7-23(31)19-28-26(32)20-10-12-21(13-11-20)29-27(33)30-22-14-16-25(17-15-22)34-24-8-4-3-5-9-24/h3-5,8-17,23H,2,6-7,18-19H2,1H3,(H,28,32)(H2,29,30,33)
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| InChIKey |
QWMKDONQFULFHL-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: PT01027, Melanin-concentrating hormone receptor 1
Protein ID: PT02767, Melanin-concentrating hormone receptor 2