General Information of the Compound
| Compound ID |
CP0503567
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| Compound Name |
1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6,7- dimethoxy- quinazolin- 4-ylthio)phenyl) urea
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| Structure |
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| Formula |
C24H25N5O4S
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| Molecular Weight |
479.562
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| Canonical SMILES |
COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1OC
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| InChI |
InChI=1S/C24H25N5O4S/c1-24(2,3)20-12-21(29-33-20)28-23(30)27-14-7-6-8-15(9-14)34-22-16-10-18(31-4)19(32-5)11-17(16)25-13-26-22/h6-13H,1-5H3,(H2,27,28,29,30)
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| InChIKey |
FFLVHWGDEYLFKE-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