General Information of the Compound
| Compound ID |
CP0099360
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| Compound Name |
3-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyquinazolin-6-yl)methyl)(methyl)amino)-1-methylazetidine-3-carboxamide
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| Structure |
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| Formula |
C22H24ClFN6O2
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| Molecular Weight |
458.925
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| Canonical SMILES |
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(CN(C)C1)C(N)=O
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| InChI |
InChI=1S/C22H24ClFN6O2/c1-29-10-22(11-29,21(25)31)30(2)9-13-7-14-17(8-18(13)32-3)26-12-27-20(14)28-16-6-4-5-15(23)19(16)24/h4-8,12H,9-11H2,1-3H3,(H2,25,31)(H,26,27,28)
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| InChIKey |
SGSZBDPHZWMJPU-UHFFFAOYSA-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