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j-113397
(Q12745583)
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From Wikidata
chemical compound
edit
Language
Label
Description
Also known as
default for all languages
No label defined
–
English
j-113397
chemical compound
Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
chemical structure
J-113,397 structure.png
324 × 560; 21 KB
0 references
mass
399.288577±0
dalton
1 reference
stated in
PubChem
PubChem CID
5311194
language of work or name
English
title
CompB
(English)
retrieved
21 September 2016
chemical formula
C₂₄H₃₇N₃O₂
1 reference
stated in
PubChem
PubChem CID
5311194
language of work or name
English
title
CompB
(English)
retrieved
20 November 2016
canonical SMILES
CCN1C2=CC=CC=C2N(C1=O)C3CCN(CC3CO)CC4CCCCCCC4
1 reference
stated in
PubChem
PubChem CID
5311194
language of work or name
English
title
CompB
(English)
retrieved
20 November 2016
isomeric SMILES
CCN1C2=CC=CC=C2N(C1=O)[C@@H]3CCN(C[C@H]3CO)CC4CCCCCCC4
1 reference
stated in
PubChem
PubChem CID
5311194
language of work or name
English
title
CompB
(English)
retrieved
20 November 2016
physically interacts with
opioid related nociceptin receptor 1
subject has role
antagonist
1 reference
stated in
IUPHAR/BPS Guide to PHARMACOLOGY
Guide to Pharmacology Ligand ID
1691
language of work or name
English
retrieved
17 August 2016
Identifiers
InChI
InChI=1S/C24H37N3O2/c1-2-26-22-12-8-9-13-23(22)27(24(26)29)21-14-15-25(17-20(21)18-28)16-19-10-6-4-3-5-7-11-19/h8-9,12-13,19-21,28H,2-7,10-11,14-18H2,1H3/t20-,21+/m0/s1
1 reference
stated in
PubChem
PubChem CID
5311194
language of work or name
English
title
CompB
(English)
retrieved
20 November 2016
InChIKey
MBGVUMXBUGIIBQ-LEWJYISDSA-N
1 reference
stated in
PubChem
PubChem CID
5311194
language of work or name
English
title
CompB
(English)
retrieved
20 November 2016
CAS Registry Number
256640-45-6
2 references
stated in
Global Substance Registration System
UNII
00M5444DIY
language of work or name
English
title
j-113397
(English)
retrieved
20 November 2016
InChIKey
MBGVUMXBUGIIBQ-LEWJYISDSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=256640-45-6
ChemSpider ID
4470714
1 reference
stated in
ChemSpider
ChemSpider ID
4470714
language of work or name
English
title
J-113,397
(English)
retrieved
20 November 2016
PubChem CID
5311194
2 references
stated in
PubChem
PubChem CID
5311194
language of work or name
English
title
CompB
(English)
retrieved
20 November 2016
matched by identifier from
InChIKey
InChIKey
MBGVUMXBUGIIBQ-LEWJYISDSA-N
ChEMBL ID
CHEMBL357076
1 reference
stated in
ChEMBL
ChEMBL ID
CHEMBL357076
language of work or name
English
title
J-113,397
(English)
retrieved
20 November 2016
UniChem compound ID
398844
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID801018432
1 reference
matched by identifier from
InChIKey
InChIKey
MBGVUMXBUGIIBQ-LEWJYISDSA-N
Guide to Pharmacology Ligand ID
1691
1 reference
stated in
IUPHAR/BPS Guide to PHARMACOLOGY
Guide to Pharmacology Ligand ID
1691
language of work or name
English
title
J-113397
(English)
retrieved
20 November 2016
UNII
00M5444DIY
2 references
stated in
Global Substance Registration System
UNII
00M5444DIY
language of work or name
English
title
j-113397
(English)
retrieved
20 November 2016
matched by identifier from
InChIKey
InChIKey
MBGVUMXBUGIIBQ-LEWJYISDSA-N
Probes And Drugs ID
PD048712
0 references
Freebase ID
/m/04y6tn3
0 references
Sitelinks
Wikipedia
(5 entries)
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arwiki
J-113،397
enwiki
J-113,397
eswiki
J-113,397
shwiki
J-113,397
srwiki
J-113,397
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(0 entries)
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(0 entries)
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(0 entries)
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(0 entries)
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(0 entries)
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(0 entries)
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Wiktionary
(0 entries)
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(0 entries)
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