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Chemical structure of CEP-11981

GC73947

CEP-11981

Also known as 19-methyl-3-(2-methylpropyl)-7-(pyrimidin-2-ylamino)-3,13,19,20-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17,20-octaen-14-one

CEP-11981(ESK981; BOL 303213X) is an orally active tyrosine kinase inhibitor (TKI), which can target TIE2, VEGFR1-3 and FGFR1, and has potential anti-tumor and anti-angiogenic effects

ChemicalCAS856691-93-5MW477.56FormulaC28H27N7O
CAS number
856691-93-5
Molecular weight
477.56
Formula
C28H27N7O
InChIKey
AEULIVPVIDOLIN-UHFFFAOYSA-N
Catalogue number
GC73947
Brand
GLPBIO
Computed properties PubChem CID 11751922 · XLogP 3.9 · TPSA 89.7 Ų · H-bond donors 2
XLogP
3.9
TPSA
89.7 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
36

SMILES CC(C)CN1C2=C(C=C(C=C2)NC3=NC=CC=N3)C4=C1C5=C(C6=CN(N=C6CC5)C)C7=C4CNC7=O

Computed descriptors from PubChem (CID 11751922), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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