General Information of the Compound
| Compound ID |
CP0372635
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| Compound Name |
(3R,4R)-4-[(4-hydroxybenzene)amido]pyrrolidin-3-yl 4-[(2-{[(acetyloxy)methoxy]carbonyl}-6-hydroxyphenyl)carbonyl]-3,5-dihydroxybenzoate
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| Structure |
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| Formula |
C29H26N2O12
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| Molecular Weight |
594.529
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| Canonical SMILES |
CC(=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/C29H26N2O12/c1-14(32)41-13-42-29(40)18-3-2-4-20(34)24(18)26(37)25-21(35)9-16(10-22(25)36)28(39)43-23-12-30-11-19(23)31-27(38)15-5-7-17(33)8-6-15/h2-10,19,23,30,33-36H,11-13H2,1H3,(H,31,38)/t19-,23-/m1/s1
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| InChIKey |
YQYBJEBDZCPCSM-AUSIDOKSSA-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