General Information of the Compound
| Compound ID |
CP0548629
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| Compound Name |
2-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]ethyl]isoindole-1,3-dione
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| Structure |
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| Formula |
C22H25N3O2
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| Molecular Weight |
363.461
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| Canonical SMILES |
Cc1cc(C)cc(c1)N1CCN(CCN2C(=O)c3ccccc3C2=O)CC1
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| InChI |
InChI=1S/C22H25N3O2/c1-16-13-17(2)15-18(14-16)24-10-7-23(8-11-24)9-12-25-21(26)19-5-3-4-6-20(19)22(25)27/h3-6,13-15H,7-12H2,1-2H3
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| InChIKey |
JHOAPADVMAMJKV-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