General Information of the Compound
| Compound ID |
CP0438700
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| Compound Name |
1-benzyl-4-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperazine
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| Structure |
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| Formula |
C27H35N3
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| Molecular Weight |
401.598
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| Canonical SMILES |
C(CN1CCCCC1)C#Cc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1
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| InChI |
InChI=1S/C27H35N3/c1-3-10-26(11-4-1)23-29-19-21-30(22-20-29)24-27-14-12-25(13-15-27)9-5-8-18-28-16-6-2-7-17-28/h1,3-4,10-15H,2,6-8,16-24H2
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| InChIKey |
KJUYUPFAJWJDHB-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