General Information of the Compound
| Compound ID |
CP0464317
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| Compound Name |
1-(4-bromophenyl)-3-(2-(3,4-dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)ethyl)carbamoyl)phenyl)urea
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| Structure |
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| Formula |
C28H31BrN4O3
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| Molecular Weight |
551.485
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| Canonical SMILES |
Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccc(Br)cc2)C(=O)NCCN2CCCC2)cc1C
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| InChI |
InChI=1S/C28H31BrN4O3/c1-19-5-11-24(17-20(19)2)36-26-12-6-21(27(34)30-13-16-33-14-3-4-15-33)18-25(26)32-28(35)31-23-9-7-22(29)8-10-23/h5-12,17-18H,3-4,13-16H2,1-2H3,(H,30,34)(H2,31,32,35)
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| InChIKey |
IEJFFMAPQSUQIU-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: PT01027, Melanin-concentrating hormone receptor 1
Protein ID: PT03304, Melanin-concentrating hormone receptor 1