General Information of the Compound
| Compound ID |
CP0260268
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| Compound Name |
1-(5-tert-butyl-2-quinolin-6-ylpyrazol-3-yl)-3-(4-quinolin-6-yloxyphenyl)urea
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| Structure |
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| Formula |
C32H28N6O2
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| Molecular Weight |
528.616
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| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccc4ncccc4c3)cc2)n(n1)-c1ccc2ncccc2c1
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| InChI |
InChI=1S/C32H28N6O2/c1-32(2,3)29-20-30(38(37-29)24-10-14-27-21(18-24)6-4-16-33-27)36-31(39)35-23-8-11-25(12-9-23)40-26-13-15-28-22(19-26)7-5-17-34-28/h4-20H,1-3H3,(H2,35,36,39)
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| InChIKey |
MCPVQJIWQOAKGR-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