General Information of the Compound
| Compound ID |
CP0943147
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| Compound Name |
2-(Benzyloxycarbonyl)phenyl-1,1,3,3-tetramethylisoindolin-2-yloxyl-5-carboxylate
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| Structure |
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| Formula |
C28H33ClN3O4
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| Molecular Weight |
511.042
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| Canonical SMILES |
COc1ccc2c(c1)c(CC(=O)NC1CC(C)(C)N([O])C(C)(C)C1)c(C)n2C(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C28H33ClN3O4/c1-17-22(14-25(33)30-20-15-27(2,3)32(35)28(4,5)16-20)23-13-21(36-6)11-12-24(23)31(17)26(34)18-7-9-19(29)10-8-18/h7-13,20H,14-16H2,1-6H3,(H,30,33)
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| InChIKey |
HMGANBBLBUAIEI-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