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Home > Encyclopedia > N-[3-[[5-Chloro-2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]thio]phenyl]-2-propenamide

N-[3-[[5-Chloro-2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]thio]phenyl]-2-propenamide

N-[3-[[5-Chloro-2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]thio]phenyl]-2-propenamide structure

N-[3-[[5-Chloro-2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]thio]phenyl]-2-propenamide 

structure
  • CAS No:

    1214265-57-2

  • Formula:

    C24H25ClN6OS

  • Chemical Name:

    N-[3-[[5-Chloro-2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]thio]phenyl]-2-propenamide

  • Synonyms:

    2-Propenamide,N-[3-[[5-chloro-2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]thio]phenyl]-;N-[3-[[5-Chloro-2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]thio]phenyl]-2-propenamide

  • Categories:

    Biochemical Engineering  >  Inhibitors

N-[3-[[5-Chloro-2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]thio]phenyl]-2-propenamide Basic Attributes

481.02

481.01

-0

DTXSID40659652

Characteristics

98.7

4.8

1.37

N-[3-[[5-Chloro-2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]thio]phenyl]-2-propenamide Use and Manufacturing

WZ8040 is an irreversiblely EGFR T790M inhibitor (IC50<10nM).

Computed Properties

Molecular Weight:481.0
XLogP3:4.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:480.1499083
Monoisotopic Mass:480.1499083
Topological Polar Surface Area:98.7
Heavy Atom Count:33
Complexity:640
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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