General Information of the Compound
| Compound ID |
CP0548519
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| Compound Name |
1-(3-(6,7- dimethoxy- quinazolin- 4-yloxy)phenyl)- 3-(5-(1- (trifluoromethyl) cyclopropyl) isoxazol-3-yl) urea
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| Structure |
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| Formula |
C24H20F3N5O5
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| Molecular Weight |
515.448
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| Canonical SMILES |
COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C4(CC4)C(F)(F)F)c3)c2cc1OC
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| InChI |
InChI=1S/C24H20F3N5O5/c1-34-17-9-15-16(10-18(17)35-2)28-12-29-21(15)36-14-5-3-4-13(8-14)30-22(33)31-20-11-19(37-32-20)23(6-7-23)24(25,26)27/h3-5,8-12H,6-7H2,1-2H3,(H2,30,31,32,33)
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| InChIKey |
JIUWVCIYTKTSRT-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