N-[3-(4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-D]pyrimidin-5-yl)phenyl]-N~3~,N~3~-dimethyl-beta-alaninamide (Q27461995)

CHEMBL2347963 (English)

19 October 2016

chemical formula

C₃₁H₃₁N₅O₃

1 reference

CHEMBL2347963 (English)

19 October 2016

canonical SMILES

CN(C)CCC(=O)NC1=CC=CC(=C1)C2=C(OC3=NC=NC(=C23)NC(CO)C4=CC=CC=C4)C5=CC=CC=C5

1 reference

CHEMBL2347963 (English)

19 October 2016

isomeric SMILES

CN(C)CCC(=O)NC1=CC=CC(=C1)C2=C(OC3=NC=NC(=C23)N[C@H](CO)C4=CC=CC=C4)C5=CC=CC=C5

1 reference

CHEMBL2347963 (English)

InChI=1S/C31H31N5O3/c1-36(2)17-16-26(38)34-24-15-9-14-23(18-24)27-28-30(35-25(19-37)21-10-5-3-6-11-21)32-20-33-31(28)39-29(27)22-12-7-4-8-13-22/h3-15,18,20,25,37H,16-17,19H2,1-2H3,(H,34,38)(H,32,33,35)/t25-/m1/s1

19 October 2016

Identifiers

InChI

1 reference

CHEMBL2347963 (English)

ASCVQXWPIHGQIB-RUZDIDTESA-N

19 October 2016

InChIKey

1 reference

CHEMBL2347963 (English)

19 October 2016

1 reference

N-[3-(4-{[(1S)-2-Hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]-N~3~,N~3~-dimethyl-beta-alaninamide (English)

19 October 2016

1 reference

CHEMBL2347963 (English)

19 October 2016

1 reference

CHEMBL2347963 (English)

19 October 2016

1 reference

0 references

1 reference

4JQ8 (English)