General Information of the Compound
| Compound ID |
CP0863937
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| Compound Name |
1-(3-(6,7-Dimethoxyquinazolin-4-yloxy)phenyl)-3-(1-phenyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyrazol-5-yl)urea
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| Structure |
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| Formula |
C30H27F3N6O4
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| Molecular Weight |
592.578
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| Canonical SMILES |
COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)nn4-c4ccccc4)c3)c2cc1OC
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| InChI |
InChI=1S/C30H27F3N6O4/c1-29(2,30(31,32)33)25-16-26(39(38-25)19-10-6-5-7-11-19)37-28(40)36-18-9-8-12-20(13-18)43-27-21-14-23(41-3)24(42-4)15-22(21)34-17-35-27/h5-17H,1-4H3,(H2,36,37,40)
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| InChIKey |
BRCZUXCMGBYEJZ-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