General Information of the Compound
| Compound ID |
CP0562283
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| Compound Name |
1-[2-[4-[[2-aminoethyl-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione
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| Structure |
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| Formula |
C26H33N3O5
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| Molecular Weight |
467.566
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| Canonical SMILES |
COc1cc(CN(CCN)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
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| InChI |
InChI=1S/C26H33N3O5/c1-18(20-4-6-22-21(16-20)9-13-33-22)28(11-10-27)17-19-3-5-23(24(15-19)32-2)34-14-12-29-25(30)7-8-26(29)31/h3-6,15-16,18H,7-14,17,27H2,1-2H3
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| InChIKey |
FFEKTSZFAILVCR-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