General Information of the Compound
| Compound ID |
CP0562937
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| Compound Name |
1-[[2-hexoxy-6-(trifluoromethyl)pyridin-3-yl]methyl]-3-(2-oxo-1H-quinolin-5-yl)urea
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| Formula |
C23H25F3N4O3
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| Molecular Weight |
462.472
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| Canonical SMILES |
CCCCCCOc1nc(ccc1CNC(=O)Nc1cccc2[nH]c(=O)ccc12)C(F)(F)F
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| InChI |
InChI=1S/C23H25F3N4O3/c1-2-3-4-5-13-33-21-15(9-11-19(30-21)23(24,25)26)14-27-22(32)29-18-8-6-7-17-16(18)10-12-20(31)28-17/h6-12H,2-5,13-14H2,1H3,(H,28,31)(H2,27,29,32)
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| InChIKey |
UUVNQRZAVYIUIF-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