General Information of the Compound
| Compound ID |
CP0429808
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| Compound Name |
1-Isoquinolin-5-yl-3-[2-(4-trifluoromethoxy-phenyl)-ethyl]-urea
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| Structure |
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| Formula |
C19H16F3N3O2
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| Molecular Weight |
375.35
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| Canonical SMILES |
FC(F)(F)Oc1ccc(CCNC(=O)Nc2cccc3cnccc23)cc1
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| InChI |
InChI=1S/C19H16F3N3O2/c20-19(21,22)27-15-6-4-13(5-7-15)8-11-24-18(26)25-17-3-1-2-14-12-23-10-9-16(14)17/h1-7,9-10,12H,8,11H2,(H2,24,25,26)
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| InChIKey |
YHSHJMCQJBIORT-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