General Information of the Compound
| Compound ID |
CP0109799
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| Compound Name |
(S)-2-(1-((4-(3-chloro-2-fluorophenylamino)-7-methoxyquinazolin-6-yl)methyl)pyrrolidin-2-yl)acetamide
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| Structure |
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| Formula |
C22H23ClFN5O2
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| Molecular Weight |
443.91
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| Canonical SMILES |
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC[C@H]1CC(N)=O
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| InChI |
InChI=1S/C22H23ClFN5O2/c1-31-19-10-18-15(8-13(19)11-29-7-3-4-14(29)9-20(25)30)22(27-12-26-18)28-17-6-2-5-16(23)21(17)24/h2,5-6,8,10,12,14H,3-4,7,9,11H2,1H3,(H2,25,30)(H,26,27,28)/t14-/m0/s1
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| InChIKey |
CFQAZHZKWMMXOV-AWEZNQCLSA-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