General Information of the Compound
| Compound ID |
CP0551947
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| Compound Name |
5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-2-(oxolan-2-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
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| Structure |
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| Formula |
C25H23F2N5O2
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| Molecular Weight |
463.488
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| Canonical SMILES |
Cn1cc2c(cccc2n1)-c1cc(F)c(CN2Cc3cn(CC4CCCO4)nc3C2=O)c(F)c1
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| InChI |
InChI=1S/C25H23F2N5O2/c1-30-13-19-18(5-2-6-23(19)28-30)15-8-21(26)20(22(27)9-15)14-31-10-16-11-32(29-24(16)25(31)33)12-17-4-3-7-34-17/h2,5-6,8-9,11,13,17H,3-4,7,10,12,14H2,1H3
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| InChIKey |
ZGADKNLISPOUFJ-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