General Information of the Compound
| Compound ID |
CP0864259
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| Compound Name |
N-{4-[(5-Fluoro-7-methoxyquinazolin-4-yl)amino]phenyl}-2-[4-(propan-2-yl)-1H-1,2,3-triazol-1-yl]acetamide
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| Structure |
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| Formula |
C22H22FN7O2
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| Molecular Weight |
435.463
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| Canonical SMILES |
COc1cc(F)c2c(Nc3ccc(NC(=O)Cn4cc(C(C)C)nn4)cc3)ncnc2c1
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| InChI |
InChI=1S/C22H22FN7O2/c1-13(2)19-10-30(29-28-19)11-20(31)26-14-4-6-15(7-5-14)27-22-21-17(23)8-16(32-3)9-18(21)24-12-25-22/h4-10,12-13H,11H2,1-3H3,(H,26,31)(H,24,25,27)
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| InChIKey |
ZHSBZQFDAKQEPZ-UHFFFAOYSA-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