General Information of the Compound
| Compound ID |
CP0475755
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| Compound Name |
1-[2-[4-[[cyclohexylmethyl-[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 |
C31H40N2O5
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| Molecular Weight |
520.67
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| Canonical SMILES |
COc1cc(CN(CC2CCCCC2)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
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| InChI |
InChI=1S/C31H40N2O5/c1-22(25-9-11-27-26(19-25)14-16-37-27)32(20-23-6-4-3-5-7-23)21-24-8-10-28(29(18-24)36-2)38-17-15-33-30(34)12-13-31(33)35/h8-11,18-19,22-23H,3-7,12-17,20-21H2,1-2H3
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| InChIKey |
PORHEKNFYVINDQ-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