General Information of the Compound
| Compound ID |
CP0157335
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| Compound Name |
N-(benzenesulfonyl)-N-[4-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenyl]benzenesulfonamide
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| Structure |
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| Formula |
C36H34N2O6S2
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| Molecular Weight |
654.81
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| Canonical SMILES |
COc1cc2CCN(Cc3ccc(cc3)-c3ccc(cc3)N(S(=O)(=O)c3ccccc3)S(=O)(=O)c3ccccc3)Cc2cc1OC
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| InChI |
InChI=1S/C36H34N2O6S2/c1-43-35-23-30-21-22-37(26-31(30)24-36(35)44-2)25-27-13-15-28(16-14-27)29-17-19-32(20-18-29)38(45(39,40)33-9-5-3-6-10-33)46(41,42)34-11-7-4-8-12-34/h3-20,23-24H,21-22,25-26H2,1-2H3
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| InChIKey |
HPMYXWRALVVIDV-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