General Information of the Compound
| Compound ID |
CP0511297
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| Compound Name |
1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6-methoxy- 7-(2- morpholino- ethoxy) quinazolin-4- yloxy)phenyl) urea
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| Structure |
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| Formula |
C29H34N6O6
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| Molecular Weight |
562.627
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| Canonical SMILES |
COc1cc2c(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)ncnc2cc1OCCN1CCOCC1
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| InChI |
InChI=1S/C29H34N6O6/c1-29(2,3)25-17-26(34-41-25)33-28(36)32-19-6-5-7-20(14-19)40-27-21-15-23(37-4)24(16-22(21)30-18-31-27)39-13-10-35-8-11-38-12-9-35/h5-7,14-18H,8-13H2,1-4H3,(H2,32,33,34,36)
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| InChIKey |
GTDRCAMYCRTQHC-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