General Information of the Compound
| Compound ID |
CP0198123
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| Compound Name |
(4,4-difluoro-3-quinoxalin-2-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone
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| Structure |
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| Formula |
C22H18F2N6O2
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| Molecular Weight |
436.422
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| Canonical SMILES |
FC1(F)CCN(CC1Oc1cnc2ccccc2n1)C(=O)c1ccccc1-n1nccn1
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| InChI |
InChI=1S/C22H18F2N6O2/c23-22(24)9-12-29(21(31)15-5-1-4-8-18(15)30-26-10-11-27-30)14-19(22)32-20-13-25-16-6-2-3-7-17(16)28-20/h1-8,10-11,13,19H,9,12,14H2
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| InChIKey |
XDXUAHLLFAFWCF-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