General Information of the Compound
| Compound ID |
CP0169476
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| Compound Name |
6-(6-tert-butylpyridin-3-yl)sulfonyl-1-(4-fluorophenyl)-4a-[(4-fluorophenyl)methyl]-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
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| Structure |
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| Formula |
C32H32F2N4O2S
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| Molecular Weight |
574.697
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| Canonical SMILES |
CC(C)(C)c1ccc(cn1)S(=O)(=O)N1CCC2=Cc3c(CC2(Cc2ccc(F)cc2)C1)cnn3-c1ccc(F)cc1
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| InChI |
InChI=1S/C32H32F2N4O2S/c1-31(2,3)30-13-12-28(20-35-30)41(39,40)37-15-14-24-16-29-23(19-36-38(29)27-10-8-26(34)9-11-27)18-32(24,21-37)17-22-4-6-25(33)7-5-22/h4-13,16,19-20H,14-15,17-18,21H2,1-3H3
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| InChIKey |
UMHTZJUUNMTPGL-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