General Information of the Compound
| Compound ID |
CP0936779
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| Compound Name |
2-(4-methyl-benzyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid (2-piperidin-1-yl-ethyl)-amide hydrochloride
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| Structure |
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| Formula |
C24H28ClN3O3
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| Molecular Weight |
441.959
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| Canonical SMILES |
Cc1ccc(CN2C(=O)c3ccc(C(=O)NCCN4CCCCC4)cc3C2=O)cc1.Cl
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| InChI |
InChI=1S/C24H27N3O3.ClH/c1-17-5-7-18(8-6-17)16-27-23(29)20-10-9-19(15-21(20)24(27)30)22(28)25-11-14-26-12-3-2-4-13-26;/h5-10,15H,2-4,11-14,16H2,1H3,(H,25,28);1H
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| InChIKey |
ZPIMKSGYBQMBOD-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