General Information of the Compound
| Compound ID |
CP0421331
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| Compound Name |
2-[6-(3,3-difluoropiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol
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| Structure |
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| Formula |
C18H17F2N5O2
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| Molecular Weight |
373.363
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| Canonical SMILES |
Oc1cc(ccc1-c1ccc(OC2CCNCC2(F)F)nn1)-n1cccn1
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| InChI |
InChI=1S/C18H17F2N5O2/c19-18(20)11-21-8-6-16(18)27-17-5-4-14(23-24-17)13-3-2-12(10-15(13)26)25-9-1-7-22-25/h1-5,7,9-10,16,21,26H,6,8,11H2
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| InChIKey |
FJJWYYDKYYXUFG-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