8-(3-{[(2S)-1-aminopropan-2-yl]oxy}benzyl)-4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one (Q27454887)

SCHEMBL593624 (English)

19 October 2016

chemical formula

C₂₉H₃₈FN₅O₂

1 reference

SCHEMBL593624 (English)

19 October 2016

canonical SMILES

CC(CN)OC1=CC=CC(=C1)CN2CCC3(CC2)C(=NC(=O)N3C4=CC(=CC=C4)F)NC5CCCCC5

1 reference

SCHEMBL593624 (English)

19 October 2016

isomeric SMILES

C[C@@H](CN)OC1=CC=CC(=C1)CN2CCC3(CC2)C(=NC(=O)N3C4=CC(=CC=C4)F)NC5CCCCC5

1 reference

SCHEMBL593624 (English)

InChI=1S/C29H38FN5O2/c1-21(19-31)37-26-12-5-7-22(17-26)20-34-15-13-29(14-16-34)27(32-24-9-3-2-4-10-24)33-28(36)35(29)25-11-6-8-23(30)18-25/h5-8,11-12,17-18,21,24H,2-4,9-10,13-16,19-20,31H2,1H3,(H,32,33,36)/t21-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

SCHEMBL593624 (English)

GJCCGBZILLQLCV-NRFANRHFSA-N

19 October 2016

InChIKey

1 reference

SCHEMBL593624 (English)

19 October 2016

1 reference

SCHEMBL593624 (English)

matched by identifier from

19 October 2016

136375305

1 reference

InChIKey

GJCCGBZILLQLCV-NRFANRHFSA-N

0 references

1 reference

4ZPF (English)