General Information of the Compound
| Compound ID |
CP0440002
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| Compound Name |
5-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]-1,3-dihydroindol-2-one
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| Structure |
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| Formula |
C26H26N2O3
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| Molecular Weight |
414.505
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| Canonical SMILES |
COc1cc2CCN(Cc3ccc(cc3)-c3ccc4NC(=O)Cc4c3)Cc2cc1OC
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| InChI |
InChI=1S/C26H26N2O3/c1-30-24-12-20-9-10-28(16-22(20)13-25(24)31-2)15-17-3-5-18(6-4-17)19-7-8-23-21(11-19)14-26(29)27-23/h3-8,11-13H,9-10,14-16H2,1-2H3,(H,27,29)
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| InChIKey |
RYGBTSZICQZDOA-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