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ChEBI
> Main
CHEBI:95081 - LSM-6333
Main
ChEBI Ontology
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ChEBI Name
LSM-6333
ChEBI ID
CHEBI:95081
Stars
This entity has been manually annotated by a third party.
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Formula
C23H25ClN4O2S
Net Charge
0
Average Mass
456.990
Monoisotopic Mass
456.13867
InChI
InChI=1S/C23H25ClN4O2S/c1-
12-
13(2)
31-
22-
19(12)
20(15-
7-
9-
16(24)
10-
8-
15)
25-
17(11-
18(29)
30-
23(4,5)
6)
21-
27-
26-
14(3)
28(21)
22/h7-
10,17H,11H2,1-
6H3/t17-
/m1/s1
InChIKey
DNVXATUJJDPFDM-QGZVFWFLSA-N
SMILES
CC1=C(SC2=C1C(=N[C@@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C
ChEBI Ontology
Outgoing
LSM-6333 (
CHEBI:95081
)
is a
tert
-butyl ester (
CHEBI:140402
)
LSM-6333 (
CHEBI:95081
)
is a
organonitrogen heterocyclic compound (
CHEBI:38101
)
LSM-6333 (
CHEBI:95081
)
is a
organosulfur heterocyclic compound (
CHEBI:38106
)
Manual Xref
Database
LSM-6333
LINCS
View more database links
Last Modified
09 March 2018