General Information of the Compound
| Compound ID |
CP0229068
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| Compound Name |
1-(4-fluorophenyl)-4a-[(4-fluorophenyl)methyl]-6-(4-fluorophenyl)sulfonyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
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| Structure |
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| Formula |
C29H24F3N3O2S
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| Molecular Weight |
535.591
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| Canonical SMILES |
Fc1ccc(CC23CN(CCC2=Cc2c(C3)cnn2-c2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2)cc1
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| InChI |
InChI=1S/C29H24F3N3O2S/c30-23-3-1-20(2-4-23)16-29-17-21-18-33-35(26-9-5-24(31)6-10-26)28(21)15-22(29)13-14-34(19-29)38(36,37)27-11-7-25(32)8-12-27/h1-12,15,18H,13-14,16-17,19H2
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| InChIKey |
KTLGORSTIUFUOG-UHFFFAOYSA-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