General Information of the Compound
| Compound ID |
CP0345345
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| Compound Name |
1-(5-chloro-6-methoxypyridin-3-yl)-3-[6-cyano-4-[methyl(oxan-4-yl)amino]quinolin-3-yl]urea
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| Formula |
C23H23ClN6O3
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| Molecular Weight |
466.929
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| Canonical SMILES |
COc1ncc(NC(=O)Nc2cnc3ccc(cc3c2N(C)C2CCOCC2)C#N)cc1Cl
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| InChI |
InChI=1S/C23H23ClN6O3/c1-30(16-5-7-33-8-6-16)21-17-9-14(11-25)3-4-19(17)26-13-20(21)29-23(31)28-15-10-18(24)22(32-2)27-12-15/h3-4,9-10,12-13,16H,5-8H2,1-2H3,(H2,28,29,31)
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| InChIKey |
NYMOIZUTIGPRRU-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