274

(3Z)-N-(3-CHLOROPHENYL)-3-({3,5-DIMETHYL-4-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-1H-PYRROL-2-YL}METHYLENE)-N-METHYL-2-OXOINDOLINE-5-SULFONAMIDE

Created: 2006-10-17
Last modified:  2021-03-01

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count69
Chiral Atom Count0
Bond Count73
Aromatic Bond Count17
2D diagram of 274
Toggle HydrogenToggle Labels

Chemical Component Summary

Name(3Z)-N-(3-CHLOROPHENYL)-3-({3,5-DIMETHYL-4-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-1H-PYRROL-2-YL}METHYLENE)-N-METHYL-2-OXOINDOLINE-5-SULFONAMIDE
SynonymsMET KINASE INHIBITOR
Systematic Name (OpenEye OEToolkits)(3Z)-N-(3-chlorophenyl)-3-[[3,5-dimethyl-4-(4-methylpiperazin-1-yl)carbonyl-1H-pyrrol-2-yl]methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide
FormulaC28 H30 Cl N5 O4 S
Molecular Weight568.087
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(N1CCN(C)CC1)c5c(c(/C=C3/c2cc(ccc2NC3=O)S(=O)(=O)N(c4cccc(Cl)c4)C)nc5C)C
SMILESCACTVS3.341CN1CCN(CC1)C(=O)c2c(C)[nH]c(C=C3C(=O)Nc4ccc(cc34)[S](=O)(=O)N(C)c5cccc(Cl)c5)c2C
SMILESOpenEye OEToolkits1.5.0Cc1c([nH]c(c1C(=O)N2CCN(CC2)C)C)C=C3c4cc(ccc4NC3=O)S(=O)(=O)N(C)c5cccc(c5)Cl
Canonical SMILESCACTVS3.341 CN1CCN(CC1)C(=O)c2c(C)[nH]c(\C=C\3C(=O)Nc4ccc(cc\34)[S](=O)(=O)N(C)c5cccc(Cl)c5)c2C
Canonical SMILESOpenEye OEToolkits1.5.0 Cc1c([nH]c(c1C(=O)N2CCN(CC2)C)C)\C=C/3\c4cc(ccc4NC3=O)S(=O)(=O)N(C)c5cccc(c5)Cl
InChIInChI1.03 InChI=1S/C28H30ClN5O4S/c1-17-25(30-18(2)26(17)28(36)34-12-10-32(3)11-13-34)16-23-22-15-21(8-9-24(22)31-27(23)35)39(37,38)33(4)20-7-5-6-19(29)14-20/h5-9,14-16,30H,10-13H2,1-4H3,(H,31,35)/b23-16-
InChIKeyInChI1.03 FPYJSJDOHRDAMT-KQWNVCNZSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL261641
PubChem 9549297
ChEMBL CHEMBL261641