General Information of the Compound
| Compound ID |
CP0497211
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| Compound Name |
3-(4-phenylpiperazin-1-yl)-1-(prop-2-ynyl)piperidin-4-ol
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| Structure |
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| Formula |
C18H25N3O
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| Molecular Weight |
299.418
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| Canonical SMILES |
OC1CCN(CC#C)CC1N1CCN(CC1)c1ccccc1
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| InChI |
InChI=1S/C18H25N3O/c1-2-9-19-10-8-18(22)17(15-19)21-13-11-20(12-14-21)16-6-4-3-5-7-16/h1,3-7,17-18,22H,8-15H2
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| InChIKey |
NTAMJMXBSHRFRN-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