General Information of the Compound
| Compound ID |
CP0540828
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| Compound Name |
[(4aR)-1-(4-fluorophenyl)-6-(3-methylphenyl)sulfonyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]-(5-methylpyridin-2-yl)methanone
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| Structure |
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| Formula |
C30H27FN4O3S
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| Molecular Weight |
542.636
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| Canonical SMILES |
Cc1ccc(nc1)C(=O)[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1cccc(C)c1
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| InChI |
InChI=1S/C30H27FN4O3S/c1-20-4-3-5-26(14-20)39(37,38)34-13-12-23-15-28-22(18-33-35(28)25-9-7-24(31)8-10-25)16-30(23,19-34)29(36)27-11-6-21(2)17-32-27/h3-11,14-15,17-18H,12-13,16,19H2,1-2H3/t30-/m0/s1
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| InChIKey |
RCYCJBQYNKSCBS-PMERELPUSA-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