General Information of the Compound
| Compound ID |
CP0038373
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| Compound Name |
2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzene)amido]azepan-4-yl]oxy}carbonyl)phenyl]carbonyl}-3-hydroxybenzoic acid
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| Synonyms |
(-)-Balanol
(3R-trans)-Balanol
167937-47-5
2-[2,6-dihydroxy-4-[(3R,4R)-3-[(4-hydroxybenzoyl)amino]azepan-4-yl]oxycarbonylbenzoyl]-3-hydroxybenzoic acid
33879-EP2275420A1
33879-EP2295055A2
33879-EP2295416A2
33879-EP2298748A2
33879-EP2298764A1
33879-EP2298765A1
33879-EP2305642A2
33879-EP2311453A1
63590-19-2
AC1NRA6W
ACon0_001438
Acyclic Balanol Analog (-)-1
Azepinostatin
BA1
BALANOL
BDBM3149
BDBM36607
Balanol, 1
CHEMBL60254
FT-0662471
GTPL8142
MCULE-9310625171
MEGxm0_000504
SCHEMBL62128
ZINC3871640
balanol
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| Structure |
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| Formula |
C28H26N2O10
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| Molecular Weight |
550.52
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| Canonical SMILES |
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1
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| InChI |
InChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22-/m1/s1
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| InChIKey |
XYUFCXJZFZPEJD-XMSQKQJNSA-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
Clinical Information about the Compound
Drug 1 ( BALANOL )
| Drug Name | BALANOL | ||
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| Target(s) | |||