General Information of the Compound
| Compound ID |
CP0419325
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| Compound Name |
(3R,4R)-4-[(4-hydroxybenzene)amido]pyrrolidin-3-yl 3,5-dihydroxy-4-({2-hydroxy-6-[(2-methylpropoxy)carbonyl]phenyl}carbonyl)benzoate
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| Structure |
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| Formula |
C30H30N2O10
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| Molecular Weight |
578.574
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| Canonical SMILES |
CC(C)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/C30H30N2O10/c1-15(2)14-41-30(40)19-4-3-5-21(34)25(19)27(37)26-22(35)10-17(11-23(26)36)29(39)42-24-13-31-12-20(24)32-28(38)16-6-8-18(33)9-7-16/h3-11,15,20,24,31,33-36H,12-14H2,1-2H3,(H,32,38)/t20-,24-/m1/s1
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| InChIKey |
NWNXQPGNDJISRZ-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