General Information of the Compound
| Compound ID |
CP0941052
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| Compound Name |
2-(4-(trifluoromethyl)phenyl)-6-(3-(trifluoromethyl)pyridin-2-yl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]pyridin-3-one
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| Formula |
C19H14F6N4O
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| Molecular Weight |
428.336
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| Canonical SMILES |
Oc1c2c(nn1-c1ccc(C(F)(F)F)cc1)NC(c1ncccc1C(F)(F)F)CC2
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| InChI |
InChI=1S/C19H14F6N4O/c20-18(21,22)10-3-5-11(6-4-10)29-17(30)12-7-8-14(27-16(12)28-29)15-13(19(23,24)25)2-1-9-26-15/h1-6,9,14,30H,7-8H2,(H,27,28)
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| InChIKey |
AOKAGHIHXNUEDC-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