General Information of the Compound
| Compound ID |
CP0567957
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| Compound Name |
1-(2-oxo-1H-quinolin-5-yl)-3-[[2-pentoxy-6-(trifluoromethyl)pyridin-3-yl]methyl]urea
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| Formula |
C22H23F3N4O3
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| Molecular Weight |
448.445
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| Canonical SMILES |
CCCCCOc1nc(ccc1CNC(=O)Nc1cccc2[nH]c(=O)ccc12)C(F)(F)F
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| InChI |
InChI=1S/C22H23F3N4O3/c1-2-3-4-12-32-20-14(8-10-18(29-20)22(23,24)25)13-26-21(31)28-17-7-5-6-16-15(17)9-11-19(30)27-16/h5-11H,2-4,12-13H2,1H3,(H,27,30)(H2,26,28,31)
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| InChIKey |
DCAWXNUXUUHOHF-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