General Information of the Compound
| Compound ID |
CP0541231
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| Compound Name |
4-[4-[4-[2-(dimethylamino)ethoxy]-3-methylphenyl]heptan-4-yl]benzene-1,2-diol
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| Structure |
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| Formula |
C24H35NO3
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| Molecular Weight |
385.548
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| Canonical SMILES |
CCCC(CCC)(c1ccc(OCCN(C)C)c(C)c1)c1ccc(O)c(O)c1
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| InChI |
InChI=1S/C24H35NO3/c1-6-12-24(13-7-2,20-8-10-21(26)22(27)17-20)19-9-11-23(18(3)16-19)28-15-14-25(4)5/h8-11,16-17,26-27H,6-7,12-15H2,1-5H3
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| InChIKey |
XTGBVNKIPPIXPB-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