General Information of the Compound
| Compound ID |
CP0439050
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| Compound Name |
N-[2-(diethylamino)ethyl]-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]benzamide
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| Structure |
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| Formula |
C21H25F3N4O3
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| Molecular Weight |
438.45
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| Canonical SMILES |
CCN(CC)CCNC(=O)c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
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| InChI |
InChI=1S/C21H25F3N4O3/c1-3-28(4-2)14-13-25-19(29)15-5-7-16(8-6-15)26-20(30)27-17-9-11-18(12-10-17)31-21(22,23)24/h5-12H,3-4,13-14H2,1-2H3,(H,25,29)(H2,26,27,30)
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| InChIKey |
YXDOSSZMBSTXNU-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: PT02767, Melanin-concentrating hormone receptor 2