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(Q72516602)
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English
WYE-687
chemical compound
N-[4-[4-(4-Morpholinyl)-1-[1-(3-pyridinylmethyl)-4-piperidinyl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]carbamic acid methyl ester
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instance of
type of chemical entity
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subclass of
chemical compound
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chemical structure
WYE-687 structure.png
855 × 891; 29 KB
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mass
528.2597368840002
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₈H₃₂N₈O₃
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canonical SMILES
COC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCN(CC4)CC5=CN=CC=C5)C(=N2)N6CCOCC6
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Identifiers
InChI
InChI=1S/C28H32N8O3/c1-38-28(37)31-22-6-4-21(5-7-22)25-32-26(35-13-15-39-16-14-35)24-18-30-36(27(24)33-25)23-8-11-34(12-9-23)19-20-3-2-10-29-17-20/h2-7,10,17-18,23H,8-9,11-16,19H2,1H3,(H,31,37)
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InChIKey
VDOCQQKGPJENHJ-UHFFFAOYSA-N
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CAS Registry Number
1062161-90-3
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PubChem CID
25229450
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UniChem compound ID
332144
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40649396
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DSSTOX compound identifier
DTXCID60600146
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Probes And Drugs ID
PD070070
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Google Knowledge Graph ID
/g/11qpyzznhw
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Sitelinks
Wikipedia
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enwiki
WYE-687
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