General Information of the Compound
| Compound ID |
CP0053368
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| Compound Name |
(S)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyquinazolin-6-yl)methyl)(methyl)amino)-4-methoxybutanamide
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| Structure |
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| Formula |
C22H25ClFN5O3
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| Molecular Weight |
461.925
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| Canonical SMILES |
COCC[C@H](N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC)C(N)=O
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| InChI |
InChI=1S/C22H25ClFN5O3/c1-29(18(21(25)30)7-8-31-2)11-13-9-14-17(10-19(13)32-3)26-12-27-22(14)28-16-6-4-5-15(23)20(16)24/h4-6,9-10,12,18H,7-8,11H2,1-3H3,(H2,25,30)(H,26,27,28)/t18-/m0/s1
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| InChIKey |
KBHNVEWVXSQNJH-SFHVURJKSA-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