General Information of the Compound
| Compound ID |
CP0228066
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| Compound Name |
2-methyl-4-[4-[3-methyl-4-(methylamino)phenyl]heptan-4-yl]phenol
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| Structure |
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| Formula |
C22H31NO
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| Molecular Weight |
325.496
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| Canonical SMILES |
CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(NC)c(C)c1
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| InChI |
InChI=1S/C22H31NO/c1-6-12-22(13-7-2,19-9-11-21(24)17(4)15-19)18-8-10-20(23-5)16(3)14-18/h8-11,14-15,23-24H,6-7,12-13H2,1-5H3
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| InChIKey |
DLUIRPSEYQLDTC-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