General Information of the Compound
| Compound ID |
CP0388000
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| Compound Name |
1-[2-[[2-(pyridin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]oxy]pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
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| Structure |
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| Formula |
C28H24F3N5O3
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| Molecular Weight |
535.526
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| Canonical SMILES |
FC(F)(F)Oc1ccc(NC(=O)Nc2cccnc2Oc2cccc3CN(Cc4ccncc4)CCc23)cc1
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| InChI |
InChI=1S/C28H24F3N5O3/c29-28(30,31)39-22-8-6-21(7-9-22)34-27(37)35-24-4-2-13-33-26(24)38-25-5-1-3-20-18-36(16-12-23(20)25)17-19-10-14-32-15-11-19/h1-11,13-15H,12,16-18H2,(H2,34,35,37)
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| InChIKey |
PHCFRSQWJBBONG-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