General Information of the Compound
| Compound ID |
CP0559821
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| Compound Name |
N-(5-(5- (5,5-dimethyl-4-oxo- 4,5-dihydroisoxazol-3- yl)-2- methylphenyl)pyrazin- 2-yl)-3,5- difluoroisonicotinamide
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| Structure |
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| Formula |
C22H17F2N5O3
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| Molecular Weight |
437.406
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| Canonical SMILES |
Cc1ccc(cc1-c1cnc(NC(=O)c2c(F)cncc2F)cn1)C1=NOC(C)(C)C1=O
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| InChI |
InChI=1S/C22H17F2N5O3/c1-11-4-5-12(19-20(30)22(2,3)32-29-19)6-13(11)16-9-27-17(10-26-16)28-21(31)18-14(23)7-25-8-15(18)24/h4-10H,1-3H3,(H,27,28,31)
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| InChIKey |
VWWZLAHHWMLIIM-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