0T2

2-chloro-3-[(2-cyanopropan-2-yl)oxy]-N-{5-[{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}(methyl)amino]-2-fluorophenyl}benzamide


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Chemical Component Summary

Name2-chloro-3-[(2-cyanopropan-2-yl)oxy]-N-{5-[{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}(methyl)amino]-2-fluorophenyl}benzamide
Identifiers2-chloranyl-3-(2-cyanopropan-2-yloxy)-N-[5-[[2-(cyclopropylcarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-methyl-amino]-2-fluoranyl-phenyl]benzamide
FormulaC28 H24 Cl F N6 O3 S
Molecular Weight579.045
TypeNON-POLYMER
Isomeric SMILESCC(C)(C#N)Oc1cccc(c1Cl)C(=O)Nc2cc(ccc2F)N(C)c3ccc4c(n3)sc(n4)NC(=O)C5CC5
InChIInChI=1S/C28H24ClFN6O3S/c1-28(2,14-31)39-21-6-4-5-17(23(21)29)25(38)32-20-13-16(9-10-18(20)30)36(3)22-12-11-19-26(34-22)40-27(33-19)35-24(37)15-7-8-15/h4-6,9-13,15H,7-8H2,1-3H3,(H,32,38)(H,33,35,37)
InChIKeyBSBQPLUISHJULY-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count64
Chiral Atom Count0
Bond Count68
Aromatic Bond Count22

Related Resource References

Resource NameReference
Pharos CHEMBL2204532
PubChem 25206346
ChEMBL CHEMBL2204532