General Information of the Compound
| Compound ID |
CP0420538
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| Compound Name |
1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl)- 3- (3-(1- (trifluoromethyl) cyclobutyl) isoxazol- 5-yl)urea
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| Structure |
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| Formula |
C25H22F3N5O5
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| Molecular Weight |
529.475
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| Canonical SMILES |
COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(no4)C4(CCC4)C(F)(F)F)c3)c2cc1OC
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| InChI |
InChI=1S/C25H22F3N5O5/c1-35-18-10-16-17(11-19(18)36-2)29-13-30-22(16)37-15-6-3-5-14(9-15)31-23(34)32-21-12-20(33-38-21)24(7-4-8-24)25(26,27)28/h3,5-6,9-13H,4,7-8H2,1-2H3,(H2,31,32,34)
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| InChIKey |
BRQZEGWSBNNJQR-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