General Information of the Compound
| Compound ID |
CP0543844
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| Compound Name |
(2S)-10-[[5-chloro-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-2-cyclopropyl-3,3-difluoro-7-methyl-2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinolin-6-one
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| Structure |
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| Formula |
C26H29ClF2N6O2
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| Molecular Weight |
531.007
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| Canonical SMILES |
C[C@H]1CCCN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1
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| InChI |
InChI=1S/C26H29ClF2N6O2/c1-14-4-3-9-35(12-14)25-30-11-18(27)23(33-25)31-16-7-8-19-17(10-16)20-21(24(36)34(19)2)37-13-26(28,29)22(32-20)15-5-6-15/h7-8,10-11,14-15,22,32H,3-6,9,12-13H2,1-2H3,(H,30,31,33)/t14-,22-/m0/s1
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| InChIKey |
BBIACINZYUBHFF-FPTDNZKUSA-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