General Information of the Compound
| Compound ID |
CP0567551
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| Compound Name |
5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-2-(2-pyrrolidin-1-ylethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
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| Structure |
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| Formula |
C26H26F2N6O
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| Molecular Weight |
476.531
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| Canonical SMILES |
Cn1cc2c(cccc2n1)-c1cc(F)c(CN2Cc3cn(CCN4CCCC4)nc3C2=O)c(F)c1
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| InChI |
InChI=1S/C26H26F2N6O/c1-31-15-20-19(5-4-6-24(20)29-31)17-11-22(27)21(23(28)12-17)16-33-13-18-14-34(30-25(18)26(33)35)10-9-32-7-2-3-8-32/h4-6,11-12,14-15H,2-3,7-10,13,16H2,1H3
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| InChIKey |
FICMHGCVSPHOSV-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