General Information of the Compound
| Compound ID |
CP0432219
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| Compound Name |
1-(1-benzyl- 3-tert- butyl- 1H-pyrazol- 5-yl)-3-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl) urea
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| Structure |
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| Formula |
C31H32N6O4
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| Molecular Weight |
552.635
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| Canonical SMILES |
COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(nn4Cc4ccccc4)C(C)(C)C)c3)c2cc1OC
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| InChI |
InChI=1S/C31H32N6O4/c1-31(2,3)27-17-28(37(36-27)18-20-10-7-6-8-11-20)35-30(38)34-21-12-9-13-22(14-21)41-29-23-15-25(39-4)26(40-5)16-24(23)32-19-33-29/h6-17,19H,18H2,1-5H3,(H2,34,35,38)
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| InChIKey |
WNGRZHJFZIEVKD-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