General Information of the Compound
| Compound ID |
CP0408907
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| Compound Name |
2-[4-(4-fluorophenyl)sulfonyl-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,3-dihydro-1,4-benzothiazin-2-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
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| Structure |
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| Formula |
C21H15F7N4O4S3
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| Molecular Weight |
616.562
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| Canonical SMILES |
OC(c1ccc2N(CC(CC(=O)Nc3nncs3)Sc2c1)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C21H15F7N4O4S3/c22-12-2-4-14(5-3-12)39(35,36)32-9-13(8-17(33)30-18-31-29-10-37-18)38-16-7-11(1-6-15(16)32)19(34,20(23,24)25)21(26,27)28/h1-7,10,13,34H,8-9H2,(H,30,31,33)
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| InChIKey |
VZANPRWREWRZMY-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: PT02663, Nuclear receptor ROR-gamma
Protein ID: PT01552, Nuclear receptor subfamily 1 group I member 2
Protein ID: PT01555, Oxysterols receptor LXR-alpha
Protein ID: PT01887, Oxysterols receptor LXR-beta