General Information of the Compound
| Compound ID |
CP0444046
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| Compound Name |
methyl 2-[6-(3-morpholin-4-ylphenoxy)-4-oxo-7-[4-[4-(trifluoromethyl)phenoxy]butanoylamino]quinazolin-3-yl]acetate
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| Formula |
C32H31F3N4O7
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| Molecular Weight |
640.615
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| Canonical SMILES |
COC(=O)Cn1cnc2cc(NC(=O)CCCOc3ccc(cc3)C(F)(F)F)c(Oc3cccc(c3)N3CCOCC3)cc2c1=O
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| InChI |
InChI=1S/C32H31F3N4O7/c1-43-30(41)19-39-20-36-26-18-27(37-29(40)6-3-13-45-23-9-7-21(8-10-23)32(33,34)35)28(17-25(26)31(39)42)46-24-5-2-4-22(16-24)38-11-14-44-15-12-38/h2,4-5,7-10,16-18,20H,3,6,11-15,19H2,1H3,(H,37,40)
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| InChIKey |
QEXLOMXRNXSROR-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