General Information of the Compound
| Compound ID |
CP0434208
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| Compound Name |
2-[[4-[1-(benzenesulfonyl)indol-5-yl]phenyl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
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| Structure |
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| Formula |
C32H30N2O4S
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| Molecular Weight |
538.669
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| Canonical SMILES |
COc1cc2CCN(Cc3ccc(cc3)-c3ccc4n(ccc4c3)S(=O)(=O)c3ccccc3)Cc2cc1OC
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| InChI |
InChI=1S/C32H30N2O4S/c1-37-31-19-26-14-16-33(22-28(26)20-32(31)38-2)21-23-8-10-24(11-9-23)25-12-13-30-27(18-25)15-17-34(30)39(35,36)29-6-4-3-5-7-29/h3-13,15,17-20H,14,16,21-22H2,1-2H3
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| InChIKey |
IJKBIICKIALYJL-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