General Information of the Compound
| Compound ID |
CP0570910
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| Compound Name |
3-[[7-[3-(dimethylamino)propoxy]-6-methoxyquinazolin-4-yl]amino]-4-fluoro-2-methylphenol
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| Structure |
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| Formula |
C21H25FN4O3
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| Molecular Weight |
400.454
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| Canonical SMILES |
COc1cc2c(Nc3c(F)ccc(O)c3C)ncnc2cc1OCCCN(C)C
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| InChI |
InChI=1S/C21H25FN4O3/c1-13-17(27)7-6-15(22)20(13)25-21-14-10-18(28-4)19(11-16(14)23-12-24-21)29-9-5-8-26(2)3/h6-7,10-12,27H,5,8-9H2,1-4H3,(H,23,24,25)
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| InChIKey |
BMQMLUCMERSAAN-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