General Information of the Compound
| Compound ID |
CP0109803
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| Compound Name |
4-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyquinazolin-6-yl)methyl)(methyl)amino)-1-methylpiperidine-4-carboxamide
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| Structure |
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| Formula |
C24H28ClFN6O2
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| Molecular Weight |
486.979
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| Canonical SMILES |
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(CCN(C)CC1)C(N)=O
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| InChI |
InChI=1S/C24H28ClFN6O2/c1-31-9-7-24(8-10-31,23(27)33)32(2)13-15-11-16-19(12-20(15)34-3)28-14-29-22(16)30-18-6-4-5-17(25)21(18)26/h4-6,11-12,14H,7-10,13H2,1-3H3,(H2,27,33)(H,28,29,30)
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| InChIKey |
XRUQVQJWTQESAB-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