General Information of the Compound
| Compound ID |
CP0543265
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| Compound Name |
1-[2-[4-[[[cyclopentyl(2,3-dihydro-1-benzofuran-5-yl)methyl]amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione
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| Structure |
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| Formula |
C28H34N2O5
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| Molecular Weight |
478.589
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| Canonical SMILES |
COc1cc(CNC(C2CCCC2)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
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| InChI |
InChI=1S/C28H34N2O5/c1-33-25-16-19(6-8-24(25)35-15-13-30-26(31)10-11-27(30)32)18-29-28(20-4-2-3-5-20)22-7-9-23-21(17-22)12-14-34-23/h6-9,16-17,20,28-29H,2-5,10-15,18H2,1H3
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| InChIKey |
ZRMPDGWAJVDYKS-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