General Information of the Compound
| Compound ID |
CP0495469
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| Compound Name |
(3R,4R)-4-[(4-hydroxybenzene)amido]pyrrolidin-3-yl 3,5-dihydroxy-4-{[2-hydroxy-6-(methoxycarbonyl)phenyl]carbonyl}benzoate
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| Structure |
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| Formula |
C27H24N2O10
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| Molecular Weight |
536.493
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| Canonical SMILES |
COC(=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/C27H24N2O10/c1-38-27(37)16-3-2-4-18(31)22(16)24(34)23-19(32)9-14(10-20(23)33)26(36)39-21-12-28-11-17(21)29-25(35)13-5-7-15(30)8-6-13/h2-10,17,21,28,30-33H,11-12H2,1H3,(H,29,35)/t17-,21-/m1/s1
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| InChIKey |
VREDQQFDKBEALJ-DYESRHJHSA-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