General Information of the Compound
| Compound ID |
CP0288341
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| Compound Name |
N-[4-[[2-(4-tert-butylphenyl)sulfonyl-6-oxo-3,4,7,8-tetrahydro-1H-isoquinolin-8a-yl]methyl]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C27H34N2O5S2
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| Molecular Weight |
530.712
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=CC(=O)CCC2(Cc2ccc(NS(C)(=O)=O)cc2)C1
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| InChI |
InChI=1S/C27H34N2O5S2/c1-26(2,3)21-7-11-25(12-8-21)36(33,34)29-16-14-22-17-24(30)13-15-27(22,19-29)18-20-5-9-23(10-6-20)28-35(4,31)32/h5-12,17,28H,13-16,18-19H2,1-4H3
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| InChIKey |
AWPOTUYYRPWLEJ-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