General Information of the Compound
| Compound ID |
CP0433813
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| Compound Name |
2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-ylpyridin-3-yl)-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C23H24N6O3S
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| Molecular Weight |
464.551
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| Canonical SMILES |
COc1ccc2CN(C(=O)c2c1)c1nc(cs1)C(=O)Nc1cnc(C)cc1N1CCNCC1
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| InChI |
InChI=1S/C23H24N6O3S/c1-14-9-20(28-7-5-24-6-8-28)18(11-25-14)26-21(30)19-13-33-23(27-19)29-12-15-3-4-16(32-2)10-17(15)22(29)31/h3-4,9-11,13,24H,5-8,12H2,1-2H3,(H,26,30)
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| InChIKey |
ZYULPKVFAYVWGR-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