General Information of the Compound
| Compound ID |
CP0109796
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| Compound Name |
(S)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyquinazolin-6-yl)methyl)(2-(dimethylamino)ethyl)amino)propanamide
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| Structure |
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| Formula |
C23H28ClFN6O2
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| Molecular Weight |
474.968
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| Canonical SMILES |
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(CCN(C)C)[C@@H](C)C(N)=O
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| InChI |
InChI=1S/C23H28ClFN6O2/c1-14(22(26)32)31(9-8-30(2)3)12-15-10-16-19(11-20(15)33-4)27-13-28-23(16)29-18-7-5-6-17(24)21(18)25/h5-7,10-11,13-14H,8-9,12H2,1-4H3,(H2,26,32)(H,27,28,29)/t14-/m0/s1
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| InChIKey |
AYNCWLOKRFSIND-AWEZNQCLSA-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