General Information of the Compound
| Compound ID |
CP0556347
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| Compound Name |
N-[2-[4,5-dimethoxy-2-[1-(4-methylphenyl)sulfonylpropyl]phenyl]ethyl]-1-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
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| Structure |
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| Formula |
C34H44N2O7S
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| Molecular Weight |
624.8
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| Canonical SMILES |
CCC(c1cc(OC)c(OC)cc1CCNC(=O)N1CCc2cc(OC)c(OC)cc2C1CC)S(=O)(=O)c1ccc(C)cc1
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| InChI |
InChI=1S/C34H44N2O7S/c1-8-28-26-20-31(42-6)30(41-5)19-24(26)15-17-36(28)34(37)35-16-14-23-18-29(40-4)32(43-7)21-27(23)33(9-2)44(38,39)25-12-10-22(3)11-13-25/h10-13,18-21,28,33H,8-9,14-17H2,1-7H3,(H,35,37)
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| InChIKey |
MVSZCEGVSRAQNK-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