General Information of the Compound
| Compound ID |
CP0939740
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| Compound Name |
2-(4-methyl-benzyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid [3-(2-methyl-piperidin-1-yl)-propyl]-amide hydrochloride
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| Structure |
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| Formula |
C26H32ClN3O3
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| Molecular Weight |
470.013
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| Canonical SMILES |
Cc1ccc(CN2C(=O)c3ccc(C(=O)NCCCN4CCCCC4C)cc3C2=O)cc1.Cl
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| InChI |
InChI=1S/C26H31N3O3.ClH/c1-18-7-9-20(10-8-18)17-29-25(31)22-12-11-21(16-23(22)26(29)32)24(30)27-13-5-15-28-14-4-3-6-19(28)2;/h7-12,16,19H,3-6,13-15,17H2,1-2H3,(H,27,30);1H
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| InChIKey |
TYLCFQWURNEOSA-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