General Information of the Compound
| Compound ID |
CP0368769
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| Compound Name |
[(4aR)-6-(3,4-difluorophenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]-(1,3-thiazol-2-yl)methanone
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| Structure |
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| Formula |
C26H19F3N4O3S2
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| Molecular Weight |
556.591
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| Canonical SMILES |
Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(F)c(F)c1)C(=O)c1nccs1
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| InChI |
InChI=1S/C26H19F3N4O3S2/c27-18-1-3-19(4-2-18)33-23-11-17-7-9-32(38(35,36)20-5-6-21(28)22(29)12-20)15-26(17,13-16(23)14-31-33)24(34)25-30-8-10-37-25/h1-6,8,10-12,14H,7,9,13,15H2/t26-/m0/s1
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| InChIKey |
SKSXFFSIYMFQNH-SANMLTNESA-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