General Information of the Compound
| Compound ID |
CP0543231
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| Compound Name |
1-[2-(3-fluoroazetidin-1-yl)ethyl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea
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| Formula |
C26H29FN6O3
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| Molecular Weight |
492.555
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| Canonical SMILES |
COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN3CC(F)C3)cc2)n(C)c1=O
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| InChI |
InChI=1S/C26H29FN6O3/c1-31-23-14-29-22-8-5-18(13-21(22)24(23)33(26(31)35)11-12-36-2)17-3-6-20(7-4-17)30-25(34)28-9-10-32-15-19(27)16-32/h3-8,13-14,19H,9-12,15-16H2,1-2H3,(H2,28,30,34)
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| InChIKey |
NHAYGJSVNRVADE-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