General Information of the Compound
| Compound ID |
CP0387369
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| Compound Name |
4-[4-[(dimethylamino)methyl]phenyl]-2-(2-piperidin-1-ylethoxy)-N-(3-piperidin-1-ylpropyl)aniline
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| Structure |
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| Formula |
C30H46N4O
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| Molecular Weight |
478.725
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| Canonical SMILES |
CN(C)Cc1ccc(cc1)-c1ccc(NCCCN2CCCCC2)c(OCCN2CCCCC2)c1
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| InChI |
InChI=1S/C30H46N4O/c1-32(2)25-26-10-12-27(13-11-26)28-14-15-29(31-16-9-21-33-17-5-3-6-18-33)30(24-28)35-23-22-34-19-7-4-8-20-34/h10-15,24,31H,3-9,16-23,25H2,1-2H3
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| InChIKey |
XZPGJRJXFPHTDZ-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