General Information of the Compound
| Compound ID |
CP0508016
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| Compound Name |
1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6-hydroxy- 7- methoxy- quinazolin- 4- yloxy)phenyl) urea
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| Structure |
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| Formula |
C23H23N5O5
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| Molecular Weight |
449.467
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| Canonical SMILES |
COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1O
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| InChI |
InChI=1S/C23H23N5O5/c1-23(2,3)19-11-20(28-33-19)27-22(30)26-13-6-5-7-14(8-13)32-21-15-9-17(29)18(31-4)10-16(15)24-12-25-21/h5-12,29H,1-4H3,(H2,26,27,28,30)
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| InChIKey |
VNEQWXQWPCTJQW-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