General Information of the Compound
| Compound ID |
CP0489962
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| Compound Name |
1-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
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| Structure |
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| Formula |
C28H31ClN2O5
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| Molecular Weight |
511.018
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| Canonical SMILES |
COc1ccc(CCNC(=O)N2CCc3cc(OC)c(OC)cc3C2c2ccc(Cl)cc2)cc1OC
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| InChI |
InChI=1S/C28H31ClN2O5/c1-33-23-10-5-18(15-24(23)34-2)11-13-30-28(32)31-14-12-20-16-25(35-3)26(36-4)17-22(20)27(31)19-6-8-21(29)9-7-19/h5-10,15-17,27H,11-14H2,1-4H3,(H,30,32)
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| InChIKey |
XAFDAAABQSORAJ-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