General Information of the Compound
| Compound ID |
CP0422199
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| Compound Name |
1-(2-(3,4-dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)ethyl)carbamoyl)phenyl)-3-(pyridin-2-yl)urea
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| Structure |
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| Formula |
C27H31N5O3
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| Molecular Weight |
473.577
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| Canonical SMILES |
Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccccn2)C(=O)NCCN2CCCC2)cc1C
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| InChI |
InChI=1S/C27H31N5O3/c1-19-8-10-22(17-20(19)2)35-24-11-9-21(26(33)29-13-16-32-14-5-6-15-32)18-23(24)30-27(34)31-25-7-3-4-12-28-25/h3-4,7-12,17-18H,5-6,13-16H2,1-2H3,(H,29,33)(H2,28,30,31,34)
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| InChIKey |
XPNIAZZIDVYNBI-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