General Information of the Compound
| Compound ID |
CP0378082
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| Compound Name |
Acetic acid 2-({6-[2-(3,4-dichloro-phenoxy)-acetylamino]-4-methyl-quinolin-2-yl}-methyl-amino)-ethyl ester
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| Structure |
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| Formula |
C23H23Cl2N3O4
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| Molecular Weight |
476.36
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| Canonical SMILES |
CN(CCOC(C)=O)c1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1
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| InChI |
InChI=1S/C23H23Cl2N3O4/c1-14-10-22(28(3)8-9-31-15(2)29)27-20-6-5-17(12-18(14)20)26-23(30)13-32-21-7-4-16(24)11-19(21)25/h4-7,10-12H,8-9,13H2,1-3H3,(H,26,30)
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| InChIKey |
DTUSYZOXNYGOKX-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