General Information of the Compound
| Compound ID |
CP0460359
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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]-pyrazin-2-ylmethanone
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| Structure |
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| Formula |
C28H21F4N5O3S
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| Molecular Weight |
583.567
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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)c1cnccn1
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| InChI |
InChI=1S/C28H21F4N5O3S/c29-21-3-5-22(6-4-21)37-25-13-20-9-12-36(41(39,40)23-7-1-19(2-8-23)28(30,31)32)17-27(20,14-18(25)15-35-37)26(38)24-16-33-10-11-34-24/h1-8,10-11,13,15-16H,9,12,14,17H2/t27-/m0/s1
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| InChIKey |
PSRYZELHXJZMMX-MHZLTWQESA-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