General Information of the Compound
| Compound ID |
CP0376182
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| Compound Name |
1-(2-(3,4-dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)ethyl)carbamoyl)phenyl)-3-phenylurea
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| Structure |
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| Formula |
C28H32N4O3
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| Molecular Weight |
472.589
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| Canonical SMILES |
Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccccc2)C(=O)NCCN2CCCC2)cc1C
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| InChI |
InChI=1S/C28H32N4O3/c1-20-10-12-24(18-21(20)2)35-26-13-11-22(27(33)29-14-17-32-15-6-7-16-32)19-25(26)31-28(34)30-23-8-4-3-5-9-23/h3-5,8-13,18-19H,6-7,14-17H2,1-2H3,(H,29,33)(H2,30,31,34)
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| InChIKey |
AENNLOUNPCFAFV-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: PT01388, Melanin-concentrating hormone receptor 1
Protein ID: PT03304, Melanin-concentrating hormone receptor 1
Protein ID: PT01027, Melanin-concentrating hormone receptor 1