General Information of the Compound
| Compound ID |
CP0577100
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| Compound Name |
(2S)-10-[[5-chloro-2-[(3S)-4,4-difluoro-3-(hydroxymethyl)piperidin-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 |
C26H27ClF4N6O3
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| Molecular Weight |
582.986
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| Canonical SMILES |
Cn1c2ccc(Nc3nc(ncc3Cl)N3CCC(F)(F)[C@H](CO)C3)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O
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| InChI |
InChI=1S/C26H27ClF4N6O3/c1-36-18-5-4-15(8-16(18)19-20(23(36)39)40-12-26(30,31)21(34-19)13-2-3-13)33-22-17(27)9-32-24(35-22)37-7-6-25(28,29)14(10-37)11-38/h4-5,8-9,13-14,21,34,38H,2-3,6-7,10-12H2,1H3,(H,32,33,35)/t14-,21-/m0/s1
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| InChIKey |
WAMJDHFDXROKDA-QKKBWIMNSA-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