General Information of the Compound
| Compound ID |
CP0409936
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| Compound Name |
4-fluoro-3-[[6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]amino]-2-methylphenol
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| Structure |
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| Formula |
C22H25FN4O3
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| Molecular Weight |
412.465
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| Canonical SMILES |
COc1cc2c(Nc3c(F)ccc(O)c3C)ncnc2cc1OCCN1CCCC1
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| InChI |
InChI=1S/C22H25FN4O3/c1-14-18(28)6-5-16(23)21(14)26-22-15-11-19(29-2)20(12-17(15)24-13-25-22)30-10-9-27-7-3-4-8-27/h5-6,11-13,28H,3-4,7-10H2,1-2H3,(H,24,25,26)
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| InChIKey |
LTTBUKSBLZYYJW-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