General Information of the Compound
| Compound ID |
CP0387437
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| Compound Name |
4-[2-[(dimethylamino)methyl]phenyl]-N-(2-piperidin-1-ylethyl)-2-(3-piperidin-1-ylpropoxy)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)Cc1ccccc1-c1ccc(NCCN2CCCCC2)c(OCCCN2CCCCC2)c1
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| InChI |
InChI=1S/C30H46N4O/c1-32(2)25-27-12-5-6-13-28(27)26-14-15-29(31-16-22-34-19-9-4-10-20-34)30(24-26)35-23-11-21-33-17-7-3-8-18-33/h5-6,12-15,24,31H,3-4,7-11,16-23,25H2,1-2H3
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| InChIKey |
KSRVAJZQMABNMZ-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