General Information of the Compound
| Compound ID |
CP0394662
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| Compound Name |
1-(2-(3-fluorophenoxy)-5-((2-(pyrrolidin-1-yl)ethyl)carbamoyl)phenyl)-3-(3-fluorophenyl)urea
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| Structure |
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| Formula |
C26H26F2N4O3
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| Molecular Weight |
480.515
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| Canonical SMILES |
Fc1cccc(NC(=O)Nc2cc(ccc2Oc2cccc(F)c2)C(=O)NCCN2CCCC2)c1
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| InChI |
InChI=1S/C26H26F2N4O3/c27-19-5-3-7-21(16-19)30-26(34)31-23-15-18(25(33)29-11-14-32-12-1-2-13-32)9-10-24(23)35-22-8-4-6-20(28)17-22/h3-10,15-17H,1-2,11-14H2,(H,29,33)(H2,30,31,34)
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| InChIKey |
QXGAUBMIKBEJAL-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