General Information of the Compound
| Compound ID |
CP0461263
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| Compound Name |
1-[2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
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| Structure |
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| Formula |
C25H24F3N3O2
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| Molecular Weight |
455.48
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| Canonical SMILES |
CC1(C)CCN(c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc12
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| InChI |
InChI=1S/C25H24F3N3O2/c1-24(2)15-16-31(21-9-5-3-7-19(21)24)22-10-6-4-8-20(22)30-23(32)29-17-11-13-18(14-12-17)33-25(26,27)28/h3-14H,15-16H2,1-2H3,(H2,29,30,32)
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| InChIKey |
WJDPSXIDDMFMPB-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