General Information of the Compound
| Compound ID |
CP0419442
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| Compound Name |
US9216972, 94
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| Synonyms |
2-amino-2-methyl-4-(3-(5-phenyl-4-(trifluoromethyl)isoxazol-3-yl)-4,5-dihydronaphtho[1,2-c]isoxazol-7-yl)butanoic acid
BDBM197671
CHEMBL3893505
HJNGPEXUUTVSJW-UHFFFAOYSA-N
SCHEMBL1815648
US9216972, 94
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| Structure |
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| Formula |
C26H22F3N3O4
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| Molecular Weight |
497.473
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| Canonical SMILES |
CC(N)(CCc1ccc2-c3noc(c3CCc2c1)-c1noc(c1C(F)(F)F)-c1ccccc1)C(O)=O
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| InChI |
InChI=1S/C26H22F3N3O4/c1-25(30,24(33)34)12-11-14-7-9-17-16(13-14)8-10-18-20(17)31-36-23(18)21-19(26(27,28)29)22(35-32-21)15-5-3-2-4-6-15/h2-7,9,13H,8,10-12,30H2,1H3,(H,33,34)
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| InChIKey |
HJNGPEXUUTVSJW-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
Clinical Information about the Compound