General Information of the Compound
| Compound ID |
CP0464319
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| Compound Name |
1-(2-(3,4-dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)ethyl)carbamoyl)phenyl)-3-(4-phenoxyphenyl)urea
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| Structure |
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| Formula |
C34H36N4O4
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| Molecular Weight |
564.686
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| Canonical SMILES |
Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccc(Oc3ccccc3)cc2)C(=O)NCCN2CCCC2)cc1C
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| InChI |
InChI=1S/C34H36N4O4/c1-24-10-14-30(22-25(24)2)42-32-17-11-26(33(39)35-18-21-38-19-6-7-20-38)23-31(32)37-34(40)36-27-12-15-29(16-13-27)41-28-8-4-3-5-9-28/h3-5,8-17,22-23H,6-7,18-21H2,1-2H3,(H,35,39)(H2,36,37,40)
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| InChIKey |
CDLVRUWCUTVUDT-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: PT03304, Melanin-concentrating hormone receptor 1
Protein ID: PT01388, Melanin-concentrating hormone receptor 1