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WV2

Summary
Name:mitapivat
Synonyms:N-{4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl}quinoline-8-sulfonamide
Formula:C24 H26 N4 O3 S
Formal charge:0
Formula weight:450.553 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-{4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl}quinoline-8-sulfonamide
OpenEye OEToolkits2.0.7~{N}-[4-[4-(cyclopropylmethyl)piperazin-1-yl]carbonylphenyl]quinoline-8-sulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(Nc1ccc(cc1)C(=O)N1CCN(CC2CC2)CC1)c1cccc2cccnc21
InChIInChI1.06InChI=1S/C24H26N4O3S/c29-24(28-15-13-27(14-16-28)17-18-6-7-18)20-8-10-21(11-9-20)26-32(30,31)22-5-1-3-19-4-2-12-25-23(19)22/h1-5,8-12,18,26H,6-7,13-17H2
InChIKeyInChI1.06XAYGBKHKBBXDAK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C(N1CCN(CC1)CC2CC2)c3ccc(N[S](=O)(=O)c4cccc5cccnc45)cc3
SMILESCACTVS3.385O=C(N1CCN(CC1)CC2CC2)c3ccc(N[S](=O)(=O)c4cccc5cccnc45)cc3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc2cccnc2c(c1)S(=O)(=O)Nc3ccc(cc3)C(=O)N4CCN(CC4)CC5CC5
SMILESOpenEye OEToolkits2.0.7c1cc2cccnc2c(c1)S(=O)(=O)Nc3ccc(cc3)C(=O)N4CCN(CC4)CC5CC5

221051

PDB entries from 2024-06-12

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