General Information of the Compound
| Compound ID |
CP0387436
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| Compound Name |
4-[2-[(dimethylamino)methyl]phenyl]-2-(2-piperidin-1-ylethoxy)-N-(2-piperidin-1-ylethyl)aniline
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| Structure |
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| Formula |
C29H44N4O
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| Molecular Weight |
464.698
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| Canonical SMILES |
CN(C)Cc1ccccc1-c1ccc(NCCN2CCCCC2)c(OCCN2CCCCC2)c1
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| InChI |
InChI=1S/C29H44N4O/c1-31(2)24-26-11-5-6-12-27(26)25-13-14-28(30-15-20-32-16-7-3-8-17-32)29(23-25)34-22-21-33-18-9-4-10-19-33/h5-6,11-14,23,30H,3-4,7-10,15-22,24H2,1-2H3
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| InChIKey |
HSRNSTPKAZVUJH-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