General Information of the Compound
| Compound ID |
CP0398874
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| Compound Name |
5-[4-(2-Methoxyphenyl)piperazin-1-yl]pentanoic acid(4-pyridin-3-ylphenyl)amide
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| Structure |
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| Formula |
C27H32N4O2
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| Molecular Weight |
444.579
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCC(=O)Nc2ccc(cc2)-c2cccnc2)CC1
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| InChI |
InChI=1S/C27H32N4O2/c1-33-26-9-3-2-8-25(26)31-19-17-30(18-20-31)16-5-4-10-27(32)29-24-13-11-22(12-14-24)23-7-6-15-28-21-23/h2-3,6-9,11-15,21H,4-5,10,16-20H2,1H3,(H,29,32)
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| InChIKey |
BEDAXORGISKENF-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