General Information of the Compound
| Compound ID |
CP0452418
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| Compound Name |
(2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]phenoxy}ethyl)diethylamine
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| Structure |
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| Formula |
C25H31NO3
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| Molecular Weight |
393.527
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| Canonical SMILES |
CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCN(CC)CC)cc1
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| InChI |
InChI=1S/C25H31NO3/c1-4-7-11-23-24(21-10-8-9-12-22(21)29-23)25(27)19-13-15-20(16-14-19)28-18-17-26(5-2)6-3/h8-10,12-16H,4-7,11,17-18H2,1-3H3
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| InChIKey |
PNZXBMCTFUFPLR-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