CHEBI:94486 - 1-[4-[[4-amino-5-chloro-6-(2-propan-2-ylsulfonylanilino)-2-pyrimidinyl]amino]-3-methoxyphenyl]-4-piperidinecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[4-[[4-amino-5-chloro-6-(2-propan-2-ylsulfonylanilino)-2-pyrimidinyl]amino]-3-methoxyphenyl]-4-piperidinecarboxamide
ChEBI ID CHEBI:94486
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C26H32ClN7O4S
Net Charge 0
Average Mass 574.097
Monoisotopic Mass 573.19250
InChI InChI=1S/C26H32ClN7O4S/c1-15(2)39(36,37)21-7-5-4-6-19(21)30-25-22(27)23(28)32-26(33-25)31-18-9-8-17(14-20(18)38-3)34-12-10-16(11-13-34)24(29)35/h4-9,14-16H,10-13H2,1-3H3,(H2,29,35)(H4,28,30,31,32,33)
InChIKey IMEGLYUXMGWVQA-UHFFFAOYSA-N
SMILES CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC(=C2Cl)N)NC3=C(C=C(C=C3)N4CCC(CC4)C(=O)N)OC
ChEBI Ontology
Outgoing 1-[4-[[4-amino-5-chloro-6-(2-propan-2-ylsulfonylanilino)-2-pyrimidinyl]amino]-3-methoxyphenyl]-4-piperidinecarboxamide (CHEBI:94486) is a piperidines (CHEBI:26151)
Manual Xref Database
LSM-5245 LINCS
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