General Information of the Compound
| Compound ID |
CP0451715
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| Compound Name |
1-[4-(1-aminoisoquinolin-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
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| Structure |
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| Formula |
C23H17F3N4O
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| Molecular Weight |
422.41
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| Canonical SMILES |
Nc1nccc2c(cccc12)-c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C23H17F3N4O/c24-23(25,26)15-3-1-4-17(13-15)30-22(31)29-16-9-7-14(8-10-16)18-5-2-6-20-19(18)11-12-28-21(20)27/h1-13H,(H2,27,28)(H2,29,30,31)
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| InChIKey |
CIUJFUBCFGKNHD-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
Protein ID: PT00954, Receptor-interacting serine/threonine-protein kinase 1