General Information of the Compound
| Compound ID |
CP0966494
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| Compound Name |
3-(5-(1-((2-chlorothiazol-5-yl)methyl)piperidin-4-yl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione
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| Structure |
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| Formula |
C22H23ClN4O3S
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| Molecular Weight |
458.971
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| Canonical SMILES |
O=C1CCC(N2Cc3cc(C4CCN(Cc5cnc(Cl)s5)CC4)ccc3C2=O)C(=O)N1
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| InChI |
InChI=1S/C22H23ClN4O3S/c23-22-24-10-16(31-22)12-26-7-5-13(6-8-26)14-1-2-17-15(9-14)11-27(21(17)30)18-3-4-19(28)25-20(18)29/h1-2,9-10,13,18H,3-8,11-12H2,(H,25,28,29)
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| InChIKey |
CLOZHNBGAHAVOZ-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