General Information of the Compound
| Compound ID |
CP0552891
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| Compound Name |
methyl 2-[6-[3-(dimethylamino)phenoxy]-4-oxo-7-[4-[4-(trifluoromethyl)phenoxy]butanoylamino]quinazolin-3-yl]acetate
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| Formula |
C30H29F3N4O6
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| Molecular Weight |
598.578
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| Canonical SMILES |
COC(=O)Cn1cnc2cc(NC(=O)CCCOc3ccc(cc3)C(F)(F)F)c(Oc3cccc(c3)N(C)C)cc2c1=O
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| InChI |
InChI=1S/C30H29F3N4O6/c1-36(2)20-6-4-7-22(14-20)43-26-15-23-24(34-18-37(29(23)40)17-28(39)41-3)16-25(26)35-27(38)8-5-13-42-21-11-9-19(10-12-21)30(31,32)33/h4,6-7,9-12,14-16,18H,5,8,13,17H2,1-3H3,(H,35,38)
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| InChIKey |
UELSMHONCWSNAF-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