General Information of the Compound
| Compound ID |
CP0382471
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| Compound Name |
4-fluoro-3-[[6-methoxy-7-(oxolan-2-ylmethoxy)quinazolin-4-yl]amino]-2-methylphenol
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| Structure |
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| Formula |
C21H22FN3O4
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| Molecular Weight |
399.422
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| Canonical SMILES |
COc1cc2c(Nc3c(F)ccc(O)c3C)ncnc2cc1OCC1CCCO1
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| InChI |
InChI=1S/C21H22FN3O4/c1-12-17(26)6-5-15(22)20(12)25-21-14-8-18(27-2)19(9-16(14)23-11-24-21)29-10-13-4-3-7-28-13/h5-6,8-9,11,13,26H,3-4,7,10H2,1-2H3,(H,23,24,25)
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| InChIKey |
YPSQQALJBJERNM-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