General Information of the Compound
| Compound ID |
CP0044633
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| Compound Name |
1-((4-(3-chloro-2-fluorophenylamino)-7-methoxyquinazolin-6-yl)methyl)-4-methylpiperazine-2-carboxamide
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| Structure |
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| Formula |
C22H24ClFN6O2
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| Molecular Weight |
458.925
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| Canonical SMILES |
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCN(C)CC1C(N)=O
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| InChI |
InChI=1S/C22H24ClFN6O2/c1-29-6-7-30(18(11-29)21(25)31)10-13-8-14-17(9-19(13)32-2)26-12-27-22(14)28-16-5-3-4-15(23)20(16)24/h3-5,8-9,12,18H,6-7,10-11H2,1-2H3,(H2,25,31)(H,26,27,28)
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| InChIKey |
WKIVNYVECBOILW-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