General Information of the Compound
| Compound ID |
CP0541305
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| Compound Name |
1-(5-((2-(pyrrolidin-1-yl)ethyl)carbamoyl)-2-(m-tolyloxy)phenyl)-3-(3-fluorophenyl)urea
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| Structure |
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| Formula |
C27H29FN4O3
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| Molecular Weight |
476.552
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| Canonical SMILES |
Cc1cccc(Oc2ccc(cc2NC(=O)Nc2cccc(F)c2)C(=O)NCCN2CCCC2)c1
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| InChI |
InChI=1S/C27H29FN4O3/c1-19-6-4-9-23(16-19)35-25-11-10-20(26(33)29-12-15-32-13-2-3-14-32)17-24(25)31-27(34)30-22-8-5-7-21(28)18-22/h4-11,16-18H,2-3,12-15H2,1H3,(H,29,33)(H2,30,31,34)
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| InChIKey |
DLYZTARPCXSNNB-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: PT01388, Melanin-concentrating hormone receptor 1