General Information of the Compound
| Compound ID |
CP0110163
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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]-(4-methylpyridin-2-yl)methanone
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| Structure |
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| Formula |
C29H23F3N4O3S
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| Molecular Weight |
564.589
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| Canonical SMILES |
Cc1ccnc(c1)C(=O)[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(F)c(F)c1
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| InChI |
InChI=1S/C29H23F3N4O3S/c1-18-8-10-33-26(12-18)28(37)29-15-19-16-34-36(22-4-2-21(30)3-5-22)27(19)13-20(29)9-11-35(17-29)40(38,39)23-6-7-24(31)25(32)14-23/h2-8,10,12-14,16H,9,11,15,17H2,1H3/t29-/m0/s1
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| InChIKey |
LMNKFOVFTAOZMX-LJAQVGFWSA-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