General Information of the Compound
| Compound ID |
CP0555349
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| Compound Name |
methyl 2-[6-[2-(dimethylamino)phenoxy]-4-oxo-7-[[2-[[4-(trifluoromethyl)phenyl]methoxy]acetyl]amino]quinazolin-3-yl]acetate
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| Formula |
C29H27F3N4O6
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| Molecular Weight |
584.551
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| Canonical SMILES |
COC(=O)Cn1cnc2cc(NC(=O)COCc3ccc(cc3)C(F)(F)F)c(Oc3ccccc3N(C)C)cc2c1=O
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| InChI |
InChI=1S/C29H27F3N4O6/c1-35(2)23-6-4-5-7-24(23)42-25-12-20-21(33-17-36(28(20)39)14-27(38)40-3)13-22(25)34-26(37)16-41-15-18-8-10-19(11-9-18)29(30,31)32/h4-13,17H,14-16H2,1-3H3,(H,34,37)
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| InChIKey |
FDMNQXCLGTZQEK-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