General Information of the Compound
| Compound ID |
CP0579538
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| Compound Name |
1-[2-(azetidin-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 |
C26H30N6O3
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| Molecular Weight |
474.565
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| Canonical SMILES |
COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN3CCC3)cc2)n(C)c1=O
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| InChI |
InChI=1S/C26H30N6O3/c1-30-23-17-28-22-9-6-19(16-21(22)24(23)32(26(30)34)14-15-35-2)18-4-7-20(8-5-18)29-25(33)27-10-13-31-11-3-12-31/h4-9,16-17H,3,10-15H2,1-2H3,(H2,27,29,33)
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| InChIKey |
OLKSCWBVRFPFNV-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