General Information of the Compound
| Compound ID |
CP0429578
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| Compound Name |
1-Isoquinolin-5-yl-3-(4-trifluoromethyl-phenyl)-urea
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| Structure |
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| Formula |
C17H12F3N3O
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| Molecular Weight |
331.297
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| Canonical SMILES |
FC(F)(F)c1ccc(NC(=O)Nc2cccc3cnccc23)cc1
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| InChI |
InChI=1S/C17H12F3N3O/c18-17(19,20)12-4-6-13(7-5-12)22-16(24)23-15-3-1-2-11-10-21-9-8-14(11)15/h1-10H,(H2,22,23,24)
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| InChIKey |
LQWWEIQNCBMVAL-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