General Information of the Compound
Compound ID |
CP0387371
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Compound Name |
2-(2-piperidin-1-ylethoxy)-4-[2-(piperidin-1-ylmethyl)phenyl]-N-(3-piperidin-1-ylpropyl)aniline
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Structure |
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Formula |
C33H50N4O
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Molecular Weight |
518.79
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Canonical SMILES |
C(CNc1ccc(cc1OCCN1CCCCC1)-c1ccccc1CN1CCCCC1)CN1CCCCC1
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InChI |
InChI=1S/C33H50N4O/c1-6-18-35(19-7-1)24-12-17-34-32-16-15-29(27-33(32)38-26-25-36-20-8-2-9-21-36)31-14-5-4-13-30(31)28-37-22-10-3-11-23-37/h4-5,13-16,27,34H,1-3,6-12,17-26,28H2
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InChIKey |
MDRFJUZMMFKJPQ-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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