General Information of the Compound
| Compound ID |
CP0387435
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| Compound Name |
2-(2-piperidin-1-ylethoxy)-4-[3-(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)-c1cccc(CN2CCCCC2)c1)CN1CCCCC1
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| InChI |
InChI=1S/C33H50N4O/c1-4-17-35(18-5-1)23-11-16-34-32-15-14-31(27-33(32)38-25-24-36-19-6-2-7-20-36)30-13-10-12-29(26-30)28-37-21-8-3-9-22-37/h10,12-15,26-27,34H,1-9,11,16-25,28H2
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| InChIKey |
DHZLVNXOHIHHEV-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