General Information of the Compound
| Compound ID |
CP0461914
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| Compound Name |
1-[2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
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| Structure |
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| Formula |
C24H22F3N3O2
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| Molecular Weight |
441.453
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| Canonical SMILES |
CC1CCN(c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc12
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| InChI |
InChI=1S/C24H22F3N3O2/c1-16-14-15-30(21-8-4-2-6-19(16)21)22-9-5-3-7-20(22)29-23(31)28-17-10-12-18(13-11-17)32-24(25,26)27/h2-13,16H,14-15H2,1H3,(H2,28,29,31)
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| InChIKey |
LOFVUPFIGBAWCL-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