General Information of the Compound
| Compound ID |
CP0153142
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| Compound Name |
2-(2-cyclohexylethoxy)-4-[2-[(dimethylamino)methyl]phenyl]-N-(3-piperidin-1-ylpropyl)aniline
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| Structure |
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| Formula |
C31H47N3O
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| Molecular Weight |
477.737
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| Canonical SMILES |
CN(C)Cc1ccccc1-c1ccc(NCCCN2CCCCC2)c(OCCC2CCCCC2)c1
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| InChI |
InChI=1S/C31H47N3O/c1-33(2)25-28-14-7-8-15-29(28)27-16-17-30(32-19-11-22-34-20-9-4-10-21-34)31(24-27)35-23-18-26-12-5-3-6-13-26/h7-8,14-17,24,26,32H,3-6,9-13,18-23,25H2,1-2H3
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| InChIKey |
PVWNPHDOANLYNV-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