General Information of the Compound
| Compound ID |
CP0450561
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| Compound Name |
US9216972, 132
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| Synonyms |
BDBM197672
CHEMBL3909064
N-(1-cyanocyclopropyl)-2-hydroxy-2-(3-(5-phenyl-4-(trifluoromethyl)isoxazol-3-yl)-4,5-dihydronaphtho[1,2-c]isoxazol-7-yl)acetamide
SCHEMBL1807765
US9216972, 132
XVGCLGONKUIZED-UHFFFAOYSA-N
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| Structure |
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| Formula |
C27H19F3N4O4
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| Molecular Weight |
520.467
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| Canonical SMILES |
OC(C(=O)NC1(CC1)C#N)c1ccc2-c3noc(c3CCc2c1)-c1noc(c1C(F)(F)F)-c1ccccc1
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| InChI |
InChI=1S/C27H19F3N4O4/c28-27(29,30)19-21(34-37-23(19)14-4-2-1-3-5-14)24-18-9-6-15-12-16(7-8-17(15)20(18)33-38-24)22(35)25(36)32-26(13-31)10-11-26/h1-5,7-8,12,22,35H,6,9-11H2,(H,32,36)
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| InChIKey |
XVGCLGONKUIZED-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