General Information of the Compound
| Compound ID |
CP0378081
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| Compound Name |
2-(2,4-Dichloro-phenoxy)-N-{2-[(2-hydroxy-ethyl)-methyl-amino]-4-methyl-quinolin-6-yl}-acetamide
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| Structure |
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| Formula |
C21H21Cl2N3O3
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| Molecular Weight |
434.323
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| Canonical SMILES |
CN(CCO)c1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1
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| InChI |
InChI=1S/C21H21Cl2N3O3/c1-13-9-20(26(2)7-8-27)25-18-5-4-15(11-16(13)18)24-21(28)12-29-19-6-3-14(22)10-17(19)23/h3-6,9-11,27H,7-8,12H2,1-2H3,(H,24,28)
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| InChIKey |
FKLOHGYBYOWNQD-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
Protein ID: PT02767, Melanin-concentrating hormone receptor 2