General Information of the Compound
| Compound ID |
CP0881851
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| Compound Name |
(2S,4S)-1-acryloyl-4-(4-(3-chloro-2,4-difluorophenylamino)-7-methoxyquinazolin-6-yloxy)-N-(2-(dimethylamino)ethyl)piperidin-2-carboxamide
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| Structure |
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| Formula |
C28H31ClF2N6O4
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| Molecular Weight |
589.043
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| Canonical SMILES |
C=CC(=O)N1CC[C@H](Oc2cc3c(Nc4ccc(F)c(Cl)c4F)ncnc3cc2OC)C[C@H]1C(=O)NCCN(C)C
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| InChI |
InChI=1S/C28H31ClF2N6O4/c1-5-24(38)37-10-8-16(12-21(37)28(39)32-9-11-36(2)3)41-23-13-17-20(14-22(23)40-4)33-15-34-27(17)35-19-7-6-18(30)25(29)26(19)31/h5-7,13-16,21H,1,8-12H2,2-4H3,(H,32,39)(H,33,34,35)/t16-,21-/m0/s1
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| InChIKey |
VWLYPACNXYWMHC-KKSFZXQISA-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