General Information of the Compound
| Compound ID |
CP0439198
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| Compound Name |
1-methyl-4-[4-[4-(piperidin-1-ylmethyl)phenyl]but-3-ynyl]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(CCC#Cc2ccc(CN3CCCCC3)cc2)CC1
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| InChI |
InChI=1S/C21H31N3/c1-22-15-17-23(18-16-22)12-6-3-7-20-8-10-21(11-9-20)19-24-13-4-2-5-14-24/h8-11H,2,4-6,12-19H2,1H3
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| InChIKey |
CEEZAECAYSVHJZ-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