General Information of the Compound
| Compound ID |
CP0918651
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| Compound Name |
2-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 |
C23H26ClN3O3
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| Molecular Weight |
427.932
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| Canonical SMILES |
Cl.O=C(NCCN1CCCCC1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O
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| InChI |
InChI=1S/C23H25N3O3.ClH/c27-21(24-11-14-25-12-5-2-6-13-25)18-9-10-19-20(15-18)23(29)26(22(19)28)16-17-7-3-1-4-8-17;/h1,3-4,7-10,15H,2,5-6,11-14,16H2,(H,24,27);1H
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| InChIKey |
GIBQQHVTLAJBLW-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