General Information of the Compound
| Compound ID |
CP0963007
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| Compound Name |
(2R,4R)-1-acryloyl-4-(4-(3-chloro-2,4-difluorophenylamino)-7-methoxyquinazolin-6-yloxy)-N-methylpiperidin-2-carboxamide
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| Structure |
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| Formula |
C25H24ClF2N5O4
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| Molecular Weight |
531.947
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| Canonical SMILES |
C=CC(=O)N1CC[C@@H](Oc2cc3c(Nc4ccc(F)c(Cl)c4F)ncnc3cc2OC)C[C@@H]1C(=O)NC
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| InChI |
InChI=1S/C25H24ClF2N5O4/c1-4-21(34)33-8-7-13(9-18(33)25(35)29-2)37-20-10-14-17(11-19(20)36-3)30-12-31-24(14)32-16-6-5-15(27)22(26)23(16)28/h4-6,10-13,18H,1,7-9H2,2-3H3,(H,29,35)(H,30,31,32)/t13-,18-/m1/s1
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| InChIKey |
OSINZAZOGLJMCA-FZKQIMNGSA-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