General Information of the Compound
| Compound ID |
CP0158027
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| Compound Name |
5-[4-methyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-2,3-dihydroisoindol-1-one
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| Structure |
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| Formula |
C24H24N4O
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| Molecular Weight |
384.483
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| Canonical SMILES |
Cc1c(cncc1-c1ccc2C(=O)NCc2c1)-c1ccc(cc1)N1CCNCC1
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| InChI |
InChI=1S/C24H24N4O/c1-16-22(17-2-5-20(6-3-17)28-10-8-25-9-11-28)14-26-15-23(16)18-4-7-21-19(12-18)13-27-24(21)29/h2-7,12,14-15,25H,8-11,13H2,1H3,(H,27,29)
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| InChIKey |
ZCLWKSOLVKDHKE-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