General Information of the Compound
| Compound ID |
CP0944868
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| Compound Name |
(2S,4S)-1-acryloyl-4-(4-(3-chloro-2,4-difluorophenylamino)-7-methoxyquinazolin-6-yloxy)-N-(2-hydroxyethyl)piperidin-2-carboxamide
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| Structure |
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| Formula |
C26H26ClF2N5O5
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| Molecular Weight |
561.973
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| Canonical SMILES |
C=CC(=O)N1CC[C@H](Oc2cc3c(Nc4ccc(F)c(Cl)c4F)ncnc3cc2OC)C[C@H]1C(=O)NCCO
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| InChI |
InChI=1S/C26H26ClF2N5O5/c1-3-22(36)34-8-6-14(10-19(34)26(37)30-7-9-35)39-21-11-15-18(12-20(21)38-2)31-13-32-25(15)33-17-5-4-16(28)23(27)24(17)29/h3-5,11-14,19,35H,1,6-10H2,2H3,(H,30,37)(H,31,32,33)/t14-,19-/m0/s1
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| InChIKey |
NBFOJBIBHOUYLA-LIRRHRJNSA-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