General Information of the Compound
| Compound ID |
CP0224497
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| Compound Name |
[(4aR)-1-(4-fluorophenyl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]-pyridin-2-ylmethanone
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| Structure |
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| Formula |
C29H21F5N4O3S
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| Molecular Weight |
600.569
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| Canonical SMILES |
Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(F)c(c1)C(F)(F)F)C(=O)c1ccccn1
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| InChI |
InChI=1S/C29H21F5N4O3S/c30-20-4-6-21(7-5-20)38-26-13-19-10-12-37(42(40,41)22-8-9-24(31)23(14-22)29(32,33)34)17-28(19,15-18(26)16-36-38)27(39)25-3-1-2-11-35-25/h1-9,11,13-14,16H,10,12,15,17H2/t28-/m0/s1
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| InChIKey |
QQFZKHCIRPLZKP-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