General Information of the Compound
| Compound ID |
CP0548363
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| Compound Name |
2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione
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| Structure |
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| Formula |
C22H25N3O3
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| Molecular Weight |
379.46
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| Canonical SMILES |
COc1cccc(c1)N1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1
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| InChI |
InChI=1S/C22H25N3O3/c1-28-18-7-4-6-17(16-18)24-14-12-23(13-15-24)10-5-11-25-21(26)19-8-2-3-9-20(19)22(25)27/h2-4,6-9,16H,5,10-15H2,1H3
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| InChIKey |
WWSKPWNVXNIOTO-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