General Information of the Compound
| Compound ID |
CP0437262
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| Compound Name |
[(4aR)-6-(3,5-difluorophenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]-pyridin-2-ylmethanone
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| Structure |
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| Formula |
C28H21F3N4O3S
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| Molecular Weight |
550.562
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| Canonical SMILES |
Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1cc(F)cc(F)c1)C(=O)c1ccccn1
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| InChI |
InChI=1S/C28H21F3N4O3S/c29-20-4-6-23(7-5-20)35-26-11-19-8-10-34(39(37,38)24-13-21(30)12-22(31)14-24)17-28(19,15-18(26)16-33-35)27(36)25-3-1-2-9-32-25/h1-7,9,11-14,16H,8,10,15,17H2/t28-/m0/s1
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| InChIKey |
GBWUCPKZMQZIPT-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