General Information of the Compound
| Compound ID |
CP0918649
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| Compound Name |
2-(3-methoxybenzyl)-1,3-dioxo-N-(2-(piperidin-1-yl)ethyl)isoindoline-5-carboxamide hydrochloride
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| Structure |
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| Formula |
C24H28ClN3O4
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| Molecular Weight |
457.958
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| Canonical SMILES |
COc1cccc(CN2C(=O)c3ccc(C(=O)NCCN4CCCCC4)cc3C2=O)c1.Cl
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| InChI |
InChI=1S/C24H27N3O4.ClH/c1-31-19-7-5-6-17(14-19)16-27-23(29)20-9-8-18(15-21(20)24(27)30)22(28)25-10-13-26-11-3-2-4-12-26;/h5-9,14-15H,2-4,10-13,16H2,1H3,(H,25,28);1H
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| InChIKey |
NJJKQWLMPZENEW-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