CHEBI:105160 - 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid [2-(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-2-oxoethyl] ester

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ChEBI Name 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid [2-(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-2-oxoethyl] ester
ChEBI ID CHEBI:105160
Stars This entity has been manually annotated by a third party.
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Formula C20H23ClN4O7S
Net Charge 0
Average Mass 498.939
Monoisotopic Mass 498.09760
InChI InChI=1S/C20H23ClN4O7S/c1-23-17(22)16(18(27)24(2)20(23)29)14(26)11-32-19(28)12-6-7-13(21)15(10-12)33(30,31)25-8-4-3-5-9-25/h6-7,10H,3-5,8-9,11,22H2,1-2H3
InChIKey PXSBKUSVQKGTGE-UHFFFAOYSA-N
SMILES CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3)N
ChEBI Ontology
Outgoing 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid [2-(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-2-oxoethyl] ester (CHEBI:105160) is a benzoate ester (CHEBI:36054)
Manual Xref Database
LSM-16523 LINCS
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