General Information of the Compound
| Compound ID |
CP0856503
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| Compound Name |
2-Propyl-5-(3-trifluoromethoxybenzylamino)isoquinolin-1(2H)-one
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| Structure |
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| Formula |
C20H19F3N2O2
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| Molecular Weight |
376.378
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| Canonical SMILES |
CCCn1ccc2c(NCc3cccc(OC(F)(F)F)c3)cccc2c1=O
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| InChI |
InChI=1S/C20H19F3N2O2/c1-2-10-25-11-9-16-17(19(25)26)7-4-8-18(16)24-13-14-5-3-6-15(12-14)27-20(21,22)23/h3-9,11-12,24H,2,10,13H2,1H3
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| InChIKey |
XNEFLZMHAJUXPW-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