General Information of the Compound
| Compound ID |
CP0224499
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| Compound Name |
[(4aR)-1-(4-fluorophenyl)-6-[4-(trifluoromethyl)phenyl]sulfonyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]-pyridin-3-ylmethanone
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| Structure |
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| Formula |
C29H22F4N4O3S
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| Molecular Weight |
582.579
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| Canonical SMILES |
Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)c1cccnc1
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| InChI |
InChI=1S/C29H22F4N4O3S/c30-23-5-7-24(8-6-23)37-26-14-22-11-13-36(41(39,40)25-9-3-21(4-10-25)29(31,32)33)18-28(22,15-20(26)17-35-37)27(38)19-2-1-12-34-16-19/h1-10,12,14,16-17H,11,13,15,18H2/t28-/m0/s1
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| InChIKey |
BIKVMPGUAXTYEM-NDEPHWFRSA-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