General Information of the Compound
| Compound ID |
CP0475364
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| Compound Name |
1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl)- 3-(5- (1- hydroxy-2- methylpropan-2- yl)isoxazol- 3-yl)urea
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| Structure |
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| Formula |
C24H25N5O6
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| Molecular Weight |
479.493
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| Canonical SMILES |
COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)CO)c3)c2cc1OC
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| InChI |
InChI=1S/C24H25N5O6/c1-24(2,12-30)20-11-21(29-35-20)28-23(31)27-14-6-5-7-15(8-14)34-22-16-9-18(32-3)19(33-4)10-17(16)25-13-26-22/h5-11,13,30H,12H2,1-4H3,(H2,27,28,29,31)
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| InChIKey |
IAGGRHWCYNZTRO-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