General Information of the Compound
| Compound ID |
CP0432262
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| Compound Name |
1-[4-(1-aminoisoquinolin-5-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
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| Structure |
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| Formula |
C23H16ClF3N4O
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| Molecular Weight |
456.855
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| Canonical SMILES |
Nc1nccc2c(cccc12)-c1ccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C23H16ClF3N4O/c24-20-9-8-15(12-19(20)23(25,26)27)31-22(32)30-14-6-4-13(5-7-14)16-2-1-3-18-17(16)10-11-29-21(18)28/h1-12H,(H2,28,29)(H2,30,31,32)
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| InChIKey |
WEHLCQBCEXVDFL-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