General Information of the Compound
| Compound ID |
CP0487872
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| Compound Name |
[3-[(5-butyl-1,3,4-oxadiazol-2-yl)methyl]-7-methyl-1,1-dioxo-3H-1,2-benzothiazol-2-yl]-[3-(trifluoromethyl)phenyl]methanone
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| Formula |
C23H22F3N3O4S
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| Molecular Weight |
493.507
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| Canonical SMILES |
CCCCc1nnc(CC2N(C(=O)c3cccc(c3)C(F)(F)F)S(=O)(=O)c3c2cccc3C)o1
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| InChI |
InChI=1S/C23H22F3N3O4S/c1-3-4-11-19-27-28-20(33-19)13-18-17-10-5-7-14(2)21(17)34(31,32)29(18)22(30)15-8-6-9-16(12-15)23(24,25)26/h5-10,12,18H,3-4,11,13H2,1-2H3
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| InChIKey |
QVJKTFKURFFBIF-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