General Information of the Compound
| Compound ID |
CP0554883
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| Compound Name |
1-(3-chloro-4-methoxyphenyl)-3-[6-cyano-4-[(3S)-3-methylmorpholin-4-yl]quinolin-3-yl]urea
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| Formula |
C23H22ClN5O3
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| Molecular Weight |
451.914
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| Canonical SMILES |
COc1ccc(NC(=O)Nc2cnc3ccc(cc3c2N2CCOC[C@@H]2C)C#N)cc1Cl
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| InChI |
InChI=1S/C23H22ClN5O3/c1-14-13-32-8-7-29(14)22-17-9-15(11-25)3-5-19(17)26-12-20(22)28-23(30)27-16-4-6-21(31-2)18(24)10-16/h3-6,9-10,12,14H,7-8,13H2,1-2H3,(H2,27,28,30)/t14-/m0/s1
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| InChIKey |
GUWGQCZBVZRIIC-AWEZNQCLSA-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