General Information of the Compound
| Compound ID |
CP0558601
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| Compound Name |
5-[[4-(1,3-dimethylpyrazol-4-yl)-2,6-difluorophenyl]methyl]-1-(oxolan-2-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
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| Structure |
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| Formula |
C22H23F2N5O2
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| Molecular Weight |
427.455
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| Canonical SMILES |
Cc1nn(C)cc1-c1cc(F)c(CN2Cc3cnn(CC4CCCO4)c3C2=O)c(F)c1
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| InChI |
InChI=1S/C22H23F2N5O2/c1-13-17(11-27(2)26-13)14-6-19(23)18(20(24)7-14)12-28-9-15-8-25-29(21(15)22(28)30)10-16-4-3-5-31-16/h6-8,11,16H,3-5,9-10,12H2,1-2H3
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| InChIKey |
OLQTXXVOIDWOGY-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