VX6
CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE
Find entries where: VX6
is present as a standalone ligand in 11 entries
Chemical Component Summary | |
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Name | CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE |
Identifiers | N-[4-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-2H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide |
Formula | C23 H28 N8 O S |
Molecular Weight | 464.586 |
Type | NON-POLYMER |
Isomeric SMILES | Cc1cc([nH]n1)Nc2cc(nc(n2)Sc3ccc(cc3)NC(=O)C4CC4)N5CCN(CC5)C |
InChI | InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) |
InChIKey | GCIKSSRWRFVXBI-UHFFFAOYSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 61 |
Chiral Atom Count | 0 |
Bond Count | 65 |
Aromatic Bond Count | 17 |
Related Resource References
Resource Name | Reference |
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Pharos | CHEMBL572878 |
PubChem | 5494449 |
ChEMBL | CHEMBL572878 |
ChEBI | CHEBI:91336 |