General Information of the Compound
| Compound ID |
CP0216462
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| Compound Name |
8a-(4-(dimethylamino)benzyl)-2-(4-tert-butylphenylsulfonyl)-1,2,3,4,8,8a-hexahydroisoquinolin-6(7H)-one
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| Structure |
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| Formula |
C28H36N2O3S
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| Molecular Weight |
480.674
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| Canonical SMILES |
CN(C)c1ccc(CC23CCC(=O)C=C2CCN(C3)S(=O)(=O)c2ccc(cc2)C(C)(C)C)cc1
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| InChI |
InChI=1S/C28H36N2O3S/c1-27(2,3)22-8-12-26(13-9-22)34(32,33)30-17-15-23-18-25(31)14-16-28(23,20-30)19-21-6-10-24(11-7-21)29(4)5/h6-13,18H,14-17,19-20H2,1-5H3
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| InChIKey |
NOVQUKIJRZVSGN-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