General Information of the Compound
| Compound ID |
CP0001529
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| Compound Name |
5-(4-Methylpiperazin-1-yl)pentanoic acid(4-pyridin-3-ylphenyl)amide
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| Structure |
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| Formula |
C21H28N4O
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| Molecular Weight |
352.482
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| Canonical SMILES |
CN1CCN(CCCCC(=O)Nc2ccc(cc2)-c2cccnc2)CC1
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| InChI |
InChI=1S/C21H28N4O/c1-24-13-15-25(16-14-24)12-3-2-6-21(26)23-20-9-7-18(8-10-20)19-5-4-11-22-17-19/h4-5,7-11,17H,2-3,6,12-16H2,1H3,(H,23,26)
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| InChIKey |
CNDPSXABBRVWIU-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