General Information of the Compound
| Compound ID |
CP0401512
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| Compound Name |
1-(4-(4-(piperidin-1-ylmethyl)phenyl)but-3-ynyl)piperidine
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| Structure |
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| Formula |
C21H30N2
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| Molecular Weight |
310.485
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| Canonical SMILES |
C(CN1CCCCC1)C#Cc1ccc(CN2CCCCC2)cc1
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| InChI |
InChI=1S/C21H30N2/c1-4-14-22(15-5-1)16-8-3-9-20-10-12-21(13-11-20)19-23-17-6-2-7-18-23/h10-13H,1-2,4-8,14-19H2
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| InChIKey |
TWJSDUFYUPMDGD-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