General Information of the Compound
| Compound ID |
CP0499387
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| Compound Name |
[5-[3-(2-aminoethyl)-5-methoxyindol-1-yl]-2,4-dihydroxyphenyl]-(1,3-dihydroisoindol-2-yl)methanone
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| Structure |
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| Formula |
C26H25N3O4
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| Molecular Weight |
443.503
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| Canonical SMILES |
COc1ccc2n(cc(CCN)c2c1)-c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O
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| InChI |
InChI=1S/C26H25N3O4/c1-33-19-6-7-22-20(10-19)18(8-9-27)15-29(22)23-11-21(24(30)12-25(23)31)26(32)28-13-16-4-2-3-5-17(16)14-28/h2-7,10-12,15,30-31H,8-9,13-14,27H2,1H3
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| InChIKey |
ABOVTYBPRBINIQ-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