General Information of the Compound
| Compound ID |
CP0579833
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| Compound Name |
1-[2-(dimethylamino)ethyl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-1-methylurea
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| Structure |
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| Formula |
C26H32N6O3
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| Molecular Weight |
476.581
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| Canonical SMILES |
COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)N(C)CCN(C)C)cc2)n(C)c1=O
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| InChI |
InChI=1S/C26H32N6O3/c1-29(2)12-13-30(3)25(33)28-20-9-6-18(7-10-20)19-8-11-22-21(16-19)24-23(17-27-22)31(4)26(34)32(24)14-15-35-5/h6-11,16-17H,12-15H2,1-5H3,(H,28,33)
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| InChIKey |
MUJKEIRJDYAFJJ-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