General Information of the Compound
| Compound ID |
CP0533151
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| Compound Name |
1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-(pyridin-4-ylmethyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione
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| Structure |
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| Formula |
C30H33N3O5
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| Molecular Weight |
515.61
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| Canonical SMILES |
COc1cc(CN(Cc2ccncc2)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
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| InChI |
InChI=1S/C30H33N3O5/c1-21(24-4-6-26-25(18-24)11-15-37-26)32(19-22-9-12-31-13-10-22)20-23-3-5-27(28(17-23)36-2)38-16-14-33-29(34)7-8-30(33)35/h3-6,9-10,12-13,17-18,21H,7-8,11,14-16,19-20H2,1-2H3
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| InChIKey |
OXBSVOLGFIPLHX-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