General Information of the Compound
| Compound ID |
CP0159396
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| Compound Name |
(R)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyquinazolin-6-yl)methyl)(methyl)amino)-N,N-dimethylpropanamide
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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@H](C)C(=O)N(C)C
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| InChI |
InChI=1S/C22H25ClFN5O2/c1-13(22(30)28(2)3)29(4)11-14-9-15-18(10-19(14)31-5)25-12-26-21(15)27-17-8-6-7-16(23)20(17)24/h6-10,12-13H,11H2,1-5H3,(H,25,26,27)/t13-/m1/s1
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| InChIKey |
QANFVYUCQKENPQ-CYBMUJFWSA-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