General Information of the Compound
| Compound ID |
CP0552011
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| Compound Name |
1-[[2-(4-fluorophenyl)-6-(trifluoromethyl)pyridin-3-yl]methyl]-3-(2-oxo-1H-quinolin-5-yl)urea
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| Formula |
C23H16F4N4O2
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| Molecular Weight |
456.399
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| Canonical SMILES |
Fc1ccc(cc1)-c1nc(ccc1CNC(=O)Nc1cccc2[nH]c(=O)ccc12)C(F)(F)F
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| InChI |
InChI=1S/C23H16F4N4O2/c24-15-7-4-13(5-8-15)21-14(6-10-19(31-21)23(25,26)27)12-28-22(33)30-18-3-1-2-17-16(18)9-11-20(32)29-17/h1-11H,12H2,(H,29,32)(H2,28,30,33)
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| InChIKey |
KCOCANVRLGXAOK-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