General Information of the Compound
| Compound ID |
CP0177295
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| Compound Name |
8a-(4-methoxybenzyl)-2-(4-tert-butylphenylsulfonyl)-1,2,3,4,8,8a-hexahydroisoquinolin-6(7H)-one
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| Structure |
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| Formula |
C27H33NO4S
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| Molecular Weight |
467.631
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| Canonical SMILES |
COc1ccc(CC23CCC(=O)C=C2CCN(C3)S(=O)(=O)c2ccc(cc2)C(C)(C)C)cc1
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| InChI |
InChI=1S/C27H33NO4S/c1-26(2,3)21-7-11-25(12-8-21)33(30,31)28-16-14-22-17-23(29)13-15-27(22,19-28)18-20-5-9-24(32-4)10-6-20/h5-12,17H,13-16,18-19H2,1-4H3
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| InChIKey |
SORRVACNJJPKKG-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