General Information of the Compound
| Compound ID |
CP0523203
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| Compound Name |
1-(2-(4-fluoro-3-methylphenoxy)-5-((2-(pyrrolidin-1-yl)ethyl)carbamoyl)phenyl)-3-(3-fluorophenyl)urea
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| Structure |
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| Formula |
C27H28F2N4O3
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| Molecular Weight |
494.542
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| Canonical SMILES |
Cc1cc(Oc2ccc(cc2NC(=O)Nc2cccc(F)c2)C(=O)NCCN2CCCC2)ccc1F
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| InChI |
InChI=1S/C27H28F2N4O3/c1-18-15-22(8-9-23(18)29)36-25-10-7-19(26(34)30-11-14-33-12-2-3-13-33)16-24(25)32-27(35)31-21-6-4-5-20(28)17-21/h4-10,15-17H,2-3,11-14H2,1H3,(H,30,34)(H2,31,32,35)
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| InChIKey |
SUXUDRZHKMVXQJ-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