General Information of the Compound
| Compound ID |
CP0962827
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| Compound Name |
(2S,4S)-1-acryloyl-4-(4-(3-chloro-2,4-difluorophenylamino)-7-methoxyquinazolin-6-yloxy)-N-(2-(methylsulphonyl)ethyl)piperidin-2-carboxamide
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| Structure |
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| Formula |
C27H28ClF2N5O6S
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| Molecular Weight |
624.066
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| Canonical SMILES |
C=CC(=O)N1CC[C@H](Oc2cc3c(Nc4ccc(F)c(Cl)c4F)ncnc3cc2OC)C[C@H]1C(=O)NCCS(C)(=O)=O
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| InChI |
InChI=1S/C27H28ClF2N5O6S/c1-4-23(36)35-9-7-15(11-20(35)27(37)31-8-10-42(3,38)39)41-22-12-16-19(13-21(22)40-2)32-14-33-26(16)34-18-6-5-17(29)24(28)25(18)30/h4-6,12-15,20H,1,7-11H2,2-3H3,(H,31,37)(H,32,33,34)/t15-,20-/m0/s1
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| InChIKey |
YWAHIFZXGJKRGG-YWZLYKJASA-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