General Information of the Compound
| Compound ID |
CP0398629
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| Compound Name |
(3R,4R)-4-[(4-hydroxybenzene)amido]pyrrolidin-3-yl 4-{[2-({[(2,2-dimethylpropanoyl)oxy]methoxy}carbonyl)-6-hydroxyphenyl]carbonyl}-3,5-dihydroxybenzoate
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| Structure |
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| Formula |
C32H32N2O12
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| Molecular Weight |
636.61
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| Canonical SMILES |
CC(C)(C)C(=O)OCOC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1
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| InChI |
InChI=1S/C32H32N2O12/c1-32(2,3)31(43)45-15-44-30(42)19-5-4-6-21(36)25(19)27(39)26-22(37)11-17(12-23(26)38)29(41)46-24-14-33-13-20(24)34-28(40)16-7-9-18(35)10-8-16/h4-12,20,24,33,35-38H,13-15H2,1-3H3,(H,34,40)/t20-,24-/m1/s1
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| InChIKey |
FWEDWNSLCBHVQT-HYBUGGRVSA-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
Protein ID: PT00858, Protein kinase C alpha type
Protein ID: PT01495, Protein kinase C beta type
Protein ID: PT01364, Protein kinase C delta type
Protein ID: PT01271, Protein kinase C epsilon type
Protein ID: PT00938, Protein kinase C eta type