General Information of the Compound
| Compound ID |
CP0407452
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| Compound Name |
3-[[7-(3-aminopropoxy)-6-methoxyquinazolin-4-yl]amino]-4-fluoro-2-methylphenol
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| Structure |
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| Formula |
C19H21FN4O3
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| Molecular Weight |
372.4
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| Canonical SMILES |
COc1cc2c(Nc3c(C)c(O)ccc3F)ncnc2cc1OCCCN
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| InChI |
InChI=1S/C19H21FN4O3/c1-11-15(25)5-4-13(20)18(11)24-19-12-8-16(26-2)17(27-7-3-6-21)9-14(12)22-10-23-19/h4-5,8-10,25H,3,6-7,21H2,1-2H3,(H,22,23,24)
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| InChIKey |
STYYBYKBDSLCAY-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