General Information of the Compound
| Compound ID |
CP0376869
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| Compound Name |
4-fluoro-3-[[6-methoxy-7-[2-[2-(trifluoromethyl)pyrrolidin-1-yl]ethoxy]quinazolin-4-yl]amino]-2-methylphenol
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| Structure |
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| Formula |
C23H24F4N4O3
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| Molecular Weight |
480.462
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| Canonical SMILES |
COc1cc2c(Nc3c(F)ccc(O)c3C)ncnc2cc1OCCN1CCCC1C(F)(F)F
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| InChI |
InChI=1S/C23H24F4N4O3/c1-13-17(32)6-5-15(24)21(13)30-22-14-10-18(33-2)19(11-16(14)28-12-29-22)34-9-8-31-7-3-4-20(31)23(25,26)27/h5-6,10-12,20,32H,3-4,7-9H2,1-2H3,(H,28,29,30)
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| InChIKey |
KWFXBXZQNRPEJM-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