General Information of the Compound
| Compound ID |
CP0368767
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| Compound Name |
[(4aR)-1-(4-fluorophenyl)-6-(3-methylphenyl)sulfonyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]-(6-methylpyridin-2-yl)methanone
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| Structure |
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| Formula |
C30H27FN4O3S
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| Molecular Weight |
542.636
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| Canonical SMILES |
Cc1cccc(c1)S(=O)(=O)N1CCC2=Cc3c(C[C@@]2(C1)C(=O)c1cccc(C)n1)cnn3-c1ccc(F)cc1
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| InChI |
InChI=1S/C30H27FN4O3S/c1-20-5-3-7-26(15-20)39(37,38)34-14-13-23-16-28-22(18-32-35(28)25-11-9-24(31)10-12-25)17-30(23,19-34)29(36)27-8-4-6-21(2)33-27/h3-12,15-16,18H,13-14,17,19H2,1-2H3/t30-/m0/s1
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| InChIKey |
QGSSRIJQJVBZOB-PMERELPUSA-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