General Information of the Compound
| Compound ID |
CP0443928
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| Compound Name |
1-(3-tert- butylphenyl)- 3-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl) urea
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| Structure |
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| Formula |
C27H28N4O4
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| Molecular Weight |
472.545
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| Canonical SMILES |
COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cccc(c4)C(C)(C)C)c3)c2cc1OC
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| InChI |
InChI=1S/C27H28N4O4/c1-27(2,3)17-8-6-9-18(12-17)30-26(32)31-19-10-7-11-20(13-19)35-25-21-14-23(33-4)24(34-5)15-22(21)28-16-29-25/h6-16H,1-5H3,(H2,30,31,32)
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| InChIKey |
XLDWUSQMDJOMMX-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