General Information of the Compound
| Compound ID |
CP0044804
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| Compound Name |
(S)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyquinazolin-6-yl)methyl)(methyl)amino)-3-hydroxypropanamide
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| Structure |
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| Formula |
C20H21ClFN5O3
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| Molecular Weight |
433.871
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| Canonical SMILES |
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@@H](CO)C(N)=O
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| InChI |
InChI=1S/C20H21ClFN5O3/c1-27(16(9-28)19(23)29)8-11-6-12-15(7-17(11)30-2)24-10-25-20(12)26-14-5-3-4-13(21)18(14)22/h3-7,10,16,28H,8-9H2,1-2H3,(H2,23,29)(H,24,25,26)/t16-/m0/s1
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| InChIKey |
PFMSFEQGLHGUNF-INIZCTEOSA-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