General Information of the Compound
| Compound ID |
CP0302070
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| Compound Name |
6-butylsulfonyl-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 |
C27H29F2N3O2S
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| Molecular Weight |
497.611
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| Canonical SMILES |
CCCCS(=O)(=O)N1CCC2=Cc3c(CC2(Cc2ccc(F)cc2)C1)cnn3-c1ccc(F)cc1
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| InChI |
InChI=1S/C27H29F2N3O2S/c1-2-3-14-35(33,34)31-13-12-22-15-26-21(18-30-32(26)25-10-8-24(29)9-11-25)17-27(22,19-31)16-20-4-6-23(28)7-5-20/h4-11,15,18H,2-3,12-14,16-17,19H2,1H3
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| InChIKey |
DYZUEMUBWZBGSS-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