General Information of the Compound
| Compound ID |
CP0393565
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| Compound Name |
2-[[2-[5-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-isoquinolin-6-yl]oxy]acetic acid
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| Structure |
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| Formula |
C21H15F6N3O4
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| Molecular Weight |
487.356
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| Canonical SMILES |
OC(=O)COc1ccc2CN(CCc2c1)c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C21H15F6N3O4/c22-20(23,24)14-5-13(6-15(8-14)21(25,26)27)18-28-19(29-34-18)30-4-3-11-7-16(33-10-17(31)32)2-1-12(11)9-30/h1-2,5-8H,3-4,9-10H2,(H,31,32)
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| InChIKey |
DRMYCMDAPFFZAE-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