General Information of the Compound
| Compound ID |
CP0082349
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| Compound Name |
(S)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyquinazolin-6-yl)methyl)(isopropyl)amino)propanamide
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| Structure |
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| Formula |
C22H25ClFN5O2
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| Molecular Weight |
445.926
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| Canonical SMILES |
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C(C)C)[C@@H](C)C(N)=O
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| InChI |
InChI=1S/C22H25ClFN5O2/c1-12(2)29(13(3)21(25)30)10-14-8-15-18(9-19(14)31-4)26-11-27-22(15)28-17-7-5-6-16(23)20(17)24/h5-9,11-13H,10H2,1-4H3,(H2,25,30)(H,26,27,28)/t13-/m0/s1
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| InChIKey |
OJGQFAGYVWAAAD-ZDUSSCGKSA-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