General Information of the Compound
| Compound ID |
CP0432242
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| Compound Name |
1-(3-tert- butyl-1- cyclohexyl- 1H-pyrazol- 5-yl)-3- (3-(6,7- dimethoxy- quinazolin- 4-yloxy) phenyl)urea
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| Structure |
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| Formula |
C30H36N6O4
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| Molecular Weight |
544.656
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| Canonical SMILES |
COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(nn4C4CCCCC4)C(C)(C)C)c3)c2cc1OC
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| InChI |
InChI=1S/C30H36N6O4/c1-30(2,3)26-17-27(36(35-26)20-11-7-6-8-12-20)34-29(37)33-19-10-9-13-21(14-19)40-28-22-15-24(38-4)25(39-5)16-23(22)31-18-32-28/h9-10,13-18,20H,6-8,11-12H2,1-5H3,(H2,33,34,37)
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| InChIKey |
JXASCTLUTOLAIV-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