trans-4-({4-[difluoro(4-fluorophenyl)methyl]-6-[(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl}amino)cyclohexanol (Q27460581)

CHEMBL2441285 (English)

19 October 2016

chemical formula

C₂₄H₂₃F₃N₆O₂S

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

COC1=CC=C2N=C(NC3=CC(=NC(NC4CCC(O)CC4)=N3)C(F)(F)C5=CC=C(F)C=C5)SC2=N1

1 reference

CHEMBL2441285 (English)

19 October 2016

isomeric SMILES

COC1=CC=C2N=C(NC3=CC(=NC(N[C@@H]4CC[C@@H](O)CC4)=N3)C(F)(F)C5=CC=C(F)C=C5)SC2=N1

1 reference

CHEMBL2441285 (English)

InChI=1S/C24H23F3N6O2S/c1-35-20-11-10-17-21(33-20)36-23(29-17)32-19-12-18(24(26,27)13-2-4-14(25)5-3-13)30-22(31-19)28-15-6-8-16(34)9-7-15/h2-5,10-12,15-16,34H,6-9H2,1H3,(H2,28,29,30,31,32)/t15-,16-

19 October 2016

Identifiers

InChI

1 reference

CHEMBL2441285 (English)

PFDUFECOJKSDAT-WKILWMFISA-N

19 October 2016

InChIKey

1 reference

CHEMBL2441285 (English)

19 October 2016

1 reference

trans-4-({4-[Difluoro(4-fluorophenyl)methyl]-6-[(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-2-pyrimidinyl}amino)cyclohexanol (English)

19 October 2016

1 reference

CHEMBL2441285 (English)

19 October 2016

0 references

1 reference

4L7S (English)