General Information of the Compound
| Compound ID |
CP0474656
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| Compound Name |
1-(5-tert- butylisoxazol- 3-yl)-3- (2-chloro-5-(6,7- dimethoxy- quinazolin- 4-yloxy) phenyl)urea
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| Structure |
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| Formula |
C24H24ClN5O5
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| Molecular Weight |
497.939
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| Canonical SMILES |
COc1cc2ncnc(Oc3ccc(Cl)c(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1OC
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| InChI |
InChI=1S/C24H24ClN5O5/c1-24(2,3)20-11-21(30-35-20)29-23(31)28-17-8-13(6-7-15(17)25)34-22-14-9-18(32-4)19(33-5)10-16(14)26-12-27-22/h6-12H,1-5H3,(H2,28,29,30,31)
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| InChIKey |
SOSHULPZORWFMN-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