General Information of the Compound
| Compound ID |
CP0552235
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| Compound Name |
3-(2-butoxyethyl)-7-methyl-2-[4-(trifluoromethyl)benzoyl]-3H-isoindol-1-one
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| Formula |
C23H24F3NO3
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| Molecular Weight |
419.443
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| Canonical SMILES |
CCCCOCCC1N(C(=O)c2ccc(cc2)C(F)(F)F)C(=O)c2c1cccc2C
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| InChI |
InChI=1S/C23H24F3NO3/c1-3-4-13-30-14-12-19-18-7-5-6-15(2)20(18)22(29)27(19)21(28)16-8-10-17(11-9-16)23(24,25)26/h5-11,19H,3-4,12-14H2,1-2H3
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| InChIKey |
GUUQCYQQISUKIG-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
Protein ID: PT03645, Nucleotide-binding oligomerization domain-containing protein 1
Protein ID: PT03970, Nucleotide-binding oligomerization domain-containing protein 2