General Information of the Compound
| Compound ID |
CP0294969
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| Compound Name |
Acetic acid 4-acetoxy-6-chloro-2,3-dimethoxy-naphthalen-1-yl ester
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| Synonyms |
(4-acetyloxy-6-chloro-2,3-dimethoxynaphthalen-1-yl) acetate
6-Chloro-2,3-dimethoxy-1,4-naphthalenediol diacetate
6-chloro-1,4-diacetoxy-2,3-dimethoxynaphthalene
91431-42-4
AC1L1KN9
BDBM50004677
BIM23A760
CHEMBL36648
CS-7197
D04770
DTXSID00238563
HY-U00156
IFWMVQUGSGWCRP-UHFFFAOYSA-N
LONAPALENE
Lonapalene
Lonapalene (USAN)
Lonapalene [USAN:INN]
Lonapaleno
Lonapaleno [Spanish]
Lonapalenum
Lonapalenum [Latin]
RS 43179
RS-43179
SCHEMBL120134
UNII-WIF31Q54NJ
WIF31Q54NJ
ZB000377
ZINC1630
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| Structure |
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| Formula |
C16H15ClO6
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| Molecular Weight |
338.743
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| Canonical SMILES |
COc1c(OC)c(OC(C)=O)c2cc(Cl)ccc2c1OC(C)=O
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| InChI |
InChI=1S/C16H15ClO6/c1-8(18)22-13-11-6-5-10(17)7-12(11)14(23-9(2)19)16(21-4)15(13)20-3/h5-7H,1-4H3
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| InChIKey |
IFWMVQUGSGWCRP-UHFFFAOYSA-N
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| CAS |
91431-42-4
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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: PT00205, 5-lipoxygenase
Protein ID: PT01743, Polyunsaturated fatty acid 5-lipoxygenase
Clinical Information about the Compound