General Information of the Compound
| Compound ID |
CP0417009
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| Compound Name |
4-[4-[4-[2-(dimethylamino)ethoxy]-3-methylphenyl]heptan-4-yl]-2-methylphenol
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| Structure |
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| Formula |
C25H37NO2
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| Molecular Weight |
383.576
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| Canonical SMILES |
CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(OCCN(C)C)c(C)c1
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| InChI |
InChI=1S/C25H37NO2/c1-7-13-25(14-8-2,21-9-11-23(27)19(3)17-21)22-10-12-24(20(4)18-22)28-16-15-26(5)6/h9-12,17-18,27H,7-8,13-16H2,1-6H3
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| InChIKey |
PVNDGPVAGMGTLC-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