General Information of the Compound
| Compound ID |
CP0871242
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| Compound Name |
(2S,4S)-1-acryloyl-4-(4-(3-chloro-2,4-difluorophenylamino)-7-methoxyquinazolin-6-yloxy)piperidin-2-carboxamide
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| Structure |
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| Formula |
C24H22ClF2N5O4
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| Molecular Weight |
517.92
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| Canonical SMILES |
C=CC(=O)N1CC[C@H](Oc2cc3c(Nc4ccc(F)c(Cl)c4F)ncnc3cc2OC)C[C@H]1C(N)=O
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| InChI |
InChI=1S/C24H22ClF2N5O4/c1-3-20(33)32-7-6-12(8-17(32)23(28)34)36-19-9-13-16(10-18(19)35-2)29-11-30-24(13)31-15-5-4-14(26)21(25)22(15)27/h3-5,9-12,17H,1,6-8H2,2H3,(H2,28,34)(H,29,30,31)/t12-,17-/m0/s1
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| InChIKey |
NLOPPFMLPNMFJS-SJCJKPOMSA-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