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(Q72518372)
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English
TC-S 7001
chemical compound
6-chloro-N4-[3,5-difluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-2,4-pyrimidinediamine
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instance of
type of chemical entity
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subclass of
chemical compound
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chemical structure
TCS-7001 structure.png
1,227 × 806; 33 KB
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mass
402.7858
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₁₃ClF₂N₆O
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canonical SMILES
CC1=CNC2=NC=CC(=C12)OC3=C(C=C(C=C3F)NC4=CC(=NC(=N4)N)Cl)F
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Identifiers
InChI
InChI=1S/C18H13ClF2N6O/c1-8-7-24-17-15(8)12(2-3-23-17)28-16-10(20)4-9(5-11(16)21)25-14-6-13(19)26-18(22)27-14/h2-7H,1H3,(H,23,24)(H3,22,25,26,27)
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InChIKey
NRSGWEVTVGZDFC-UHFFFAOYSA-N
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CAS Registry Number
867017-68-3
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PubChem CID
11524200
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matched by identifier from
InChIKey
InChIKey
NRSGWEVTVGZDFC-UHFFFAOYSA-N
UniChem compound ID
27221773
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00468040
1 reference
matched by identifier from
InChIKey
InChIKey
NRSGWEVTVGZDFC-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID10418859
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Probes And Drugs ID
PD069579
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Google Knowledge Graph ID
/g/11qq5dxr23
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TC-S 7001
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