ALR-3456
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ALR-3456
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CAS No:
845256-65-7
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Formula:
C25H28F3N3O2
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Chemical Name:
ALR-3456
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Synonyms:
ALR-3456;1H-Pyrrole-1-carboxamide,4-(2,5-difluorophenyl)-N-[(3R,4S)-3-fluoro-1-methyl-4-piperidinyl]-2,5-dihydro-2-(hydroxymethyl)-N-methyl-2-phenyl-,(2S)-;MK0731;(R)-2-aMino-2-cyclopropyl-1-((S)-4-(2,5-difluorophenyl)-2-phenyl-2H-pyrrol-1(5H)-yl)ethanone;(S)-4-(2,5-difluorophenyl)-N-((3R,4S)-3-fluoro-1-Methylpiperidin-4-yl)-2-(hydroxyMethyl)-N-Methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxaMide;ALR-3456 , MK-0731;(2S)-4-(2,5-Difluorophenyl)-N-[(3R,4S)-3-fluoro-1-methyl-4-piperidinyl]-2,5-dihydro-2-(hydroxymethyl)-N-methyl-2-phenyl-1H-pyrrole-1-carboxamide;(5S)-3-(2,5-difluorophenyl)-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-5-(hydroxymethyl)-N-methyl-5-phenyl-2H-pyrrole-1-carboxamide
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CAS No:
Description
MK-0731 is a kinesin spindle protein inhibitor and antineoplastic agent.|MK0731 is a synthetic small molecule with potential antineoplastic activity. MK0731 selectively inhibits kinesin spindle protein (KSP), which may result in the inhibition of mitotic spindle assembly, induction of cell cycle arrest during the mitotic phase, and apoptosis in tumor cells that overexpress KSP.
Drug Information
4-(2,5-difluorophenyl)-N-(3-fluoro-1-methylpiperidin-4-yl)-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
Computed Properties
Molecular Weight:459.5
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:459.21336163
Monoisotopic Mass:459.21336163
Topological Polar Surface Area:47
Heavy Atom Count:33
Complexity:732
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes