General Information of the Compound
| Compound ID |
CP0501395
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| Compound Name |
1-methyl-4-[[3-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperazine
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| Structure |
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| Formula |
C21H31N3
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| Molecular Weight |
325.5
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| Canonical SMILES |
CN1CCN(Cc2cccc(c2)C#CCCN2CCCCC2)CC1
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| InChI |
InChI=1S/C21H31N3/c1-22-14-16-24(17-15-22)19-21-10-7-9-20(18-21)8-3-6-13-23-11-4-2-5-12-23/h7,9-10,18H,2,4-6,11-17,19H2,1H3
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| InChIKey |
NVYKUZPOGWHWQN-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