General Information of the Compound
| Compound ID |
CP0169400
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| Compound Name |
2-[(4-tert-butylbenzene)sulfonyl]-8a-({4-[(dimethylsulfamoyl)amino]phenyl}methyl)-1,2,3,4,6,7,8,8a-octahydroisoquinolin-6-one
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| Structure |
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| Formula |
C28H37N3O5S2
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| Molecular Weight |
559.754
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| Canonical SMILES |
CN(C)S(=O)(=O)Nc1ccc(CC23CCC(=O)C=C2CCN(C3)S(=O)(=O)c2ccc(cc2)C(C)(C)C)cc1
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| InChI |
InChI=1S/C28H37N3O5S2/c1-27(2,3)22-8-12-26(13-9-22)37(33,34)31-17-15-23-18-25(32)14-16-28(23,20-31)19-21-6-10-24(11-7-21)29-38(35,36)30(4)5/h6-13,18,29H,14-17,19-20H2,1-5H3
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| InChIKey |
MAZLDPUTNFAAEU-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