General Information of the Compound
| Compound ID |
CP0242617
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| Compound Name |
2-[5-Chloro-2-(9-ethyl-6,7,8,9-tetrahydro-5-oxa-9-aza-benzocyclohepten-2-ylamino)-pyrimidin-4-ylamino]-3-fluoro-N-methyl-benzamide
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| Structure |
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| Formula |
C23H24ClFN6O2
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| Molecular Weight |
470.936
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| Canonical SMILES |
CCN1CCCOc2ccc(Nc3ncc(Cl)c(Nc4c(F)cccc4C(=O)NC)n3)cc12
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| InChI |
InChI=1S/C23H24ClFN6O2/c1-3-31-10-5-11-33-19-9-8-14(12-18(19)31)28-23-27-13-16(24)21(30-23)29-20-15(22(32)26-2)6-4-7-17(20)25/h4,6-9,12-13H,3,5,10-11H2,1-2H3,(H,26,32)(H2,27,28,29,30)
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| InChIKey |
QMDSNSHMWIVCND-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