General Information of the Compound
| Compound ID |
CP0550425
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| Compound Name |
N-[2-[(dimethylamino)methyl]phenyl]-3,5-bis[(2-piperidin-1-ylethylamino)methyl]aniline
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| Structure |
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| Formula |
C31H50N6
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| Molecular Weight |
506.783
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| Canonical SMILES |
CN(C)Cc1ccccc1Nc1cc(CNCCN2CCCCC2)cc(CNCCN2CCCCC2)c1
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| InChI |
InChI=1S/C31H50N6/c1-35(2)26-29-11-5-6-12-31(29)34-30-22-27(24-32-13-19-36-15-7-3-8-16-36)21-28(23-30)25-33-14-20-37-17-9-4-10-18-37/h5-6,11-12,21-23,32-34H,3-4,7-10,13-20,24-26H2,1-2H3
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| InChIKey |
NBHCATAVFSIWHT-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