General Information of the Compound
| Compound ID |
CP0420097
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| Compound Name |
4-fluoro-3-[[7-[2-(3-fluoropyrrolidin-1-yl)ethoxy]-6-methoxyquinazolin-4-yl]amino]-2-methylphenol
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| Structure |
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| Formula |
C22H24F2N4O3
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| Molecular Weight |
430.455
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| Canonical SMILES |
COc1cc2c(Nc3c(F)ccc(O)c3C)ncnc2cc1OCCN1CCC(F)C1
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| InChI |
InChI=1S/C22H24F2N4O3/c1-13-18(29)4-3-16(24)21(13)27-22-15-9-19(30-2)20(10-17(15)25-12-26-22)31-8-7-28-6-5-14(23)11-28/h3-4,9-10,12,14,29H,5-8,11H2,1-2H3,(H,25,26,27)
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| InChIKey |
KVRNISQFMUMEHW-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