General Information of the Compound
| Compound ID |
CP0482306
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| Compound Name |
4-[2-[(dimethylamino)methyl]phenyl]-N-(4-piperidin-1-ylbutyl)-2-(2-piperidin-1-ylethoxy)aniline
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| Structure |
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| Formula |
C31H48N4O
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| Molecular Weight |
492.752
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| Canonical SMILES |
CN(C)Cc1ccccc1-c1ccc(NCCCCN2CCCCC2)c(OCCN2CCCCC2)c1
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| InChI |
InChI=1S/C31H48N4O/c1-33(2)26-28-13-5-6-14-29(28)27-15-16-30(32-17-7-12-22-34-18-8-3-9-19-34)31(25-27)36-24-23-35-20-10-4-11-21-35/h5-6,13-16,25,32H,3-4,7-12,17-24,26H2,1-2H3
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| InChIKey |
ICOMXKVTPPPFIC-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