General Information of the Compound
| Compound ID |
CP0548511
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| Compound Name |
5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-1-(2-hydroxyethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
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| Structure |
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| Formula |
C22H19F2N5O2
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| Molecular Weight |
423.423
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| Canonical SMILES |
Cn1cc2c(cccc2n1)-c1cc(F)c(CN2Cc3cnn(CCO)c3C2=O)c(F)c1
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| InChI |
InChI=1S/C22H19F2N5O2/c1-27-11-16-15(3-2-4-20(16)26-27)13-7-18(23)17(19(24)8-13)12-28-10-14-9-25-29(5-6-30)21(14)22(28)31/h2-4,7-9,11,30H,5-6,10,12H2,1H3
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| InChIKey |
SPPXRJDHKSTFLG-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