General Information of the Compound
| Compound ID |
CP0503568
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| Compound Name |
1-(5-tert- butylisoxazol- 3-yl)-3-(3- (7-methoxy- 6-(2- (piperidin-1- yl)ethoxy) quinazolin-4- yloxy)phenyl) urea
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| Structure |
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| Formula |
C30H36N6O5
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| Molecular Weight |
560.655
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| Canonical SMILES |
COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1OCCN1CCCCC1
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| InChI |
InChI=1S/C30H36N6O5/c1-30(2,3)26-18-27(35-41-26)34-29(37)33-20-9-8-10-21(15-20)40-28-22-16-25(24(38-4)17-23(22)31-19-32-28)39-14-13-36-11-6-5-7-12-36/h8-10,15-19H,5-7,11-14H2,1-4H3,(H2,33,34,35,37)
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| InChIKey |
QPBHVADABCSTRU-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