General Information of the Compound
| Compound ID |
CP0904316
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| Compound Name |
2-(4-chlorobenzyl)-1,3-dioxo-N-(3-(pyrrolidin-1-yl)propyl)isoindoline-5-carboxamide hydrochloride
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| Structure |
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| Formula |
C23H25Cl2N3O3
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| Molecular Weight |
462.377
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| Canonical SMILES |
Cl.O=C(NCCCN1CCCC1)c1ccc2c(c1)C(=O)N(Cc1ccc(Cl)cc1)C2=O
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| InChI |
InChI=1S/C23H24ClN3O3.ClH/c24-18-7-4-16(5-8-18)15-27-22(29)19-9-6-17(14-20(19)23(27)30)21(28)25-10-3-13-26-11-1-2-12-26;/h4-9,14H,1-3,10-13,15H2,(H,25,28);1H
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| InChIKey |
IRQGSYFZGSFNIP-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