1-(trans-4-{[7-oxo-8-(propan-2-yl)-7,8-dihydropyrido[2,3-D]pyrimidin-2-yl]amino}cyclohexyl)-3-propan-2-ylurea (Q27455384)

CHEMBL3577868 (English)

19 October 2016

chemical formula

C₂₀H₃₀N₆O₂

1 reference

stated in

RCSB protein data bank

PDB ligand ID

519

16 February 2021

canonical SMILES

CC(C)NC(=O)NC1CCC(CC1)NC2=NC=C3C=CC(=O)N(C(C)C)C3=N2

1 reference

CHEMBL3577868 (English)

19 October 2016

isomeric SMILES

CC(C)NC(=O)N[C@@H]1CC[C@H](CC1)NC2=NC=C3C=CC(=O)N(C(C)C)C3=N2

1 reference

CHEMBL3577868 (English)

InChI=1S/C20H30N6O2/c1-12(2)22-20(28)24-16-8-6-15(7-9-16)23-19-21-11-14-5-10-17(27)26(13(3)4)18(14)25-19/h5,10-13,15-16H,6-9H2,1-4H3,(H,21,23,25)(H2,22,24,28)/t15-,16-

19 October 2016

Identifiers

InChI

1 reference

CHEMBL3577868 (English)

FJVVBMGXZMJPOI-WKILWMFISA-N

19 October 2016

InChIKey

1 reference

CHEMBL3577868 (English)

19 October 2016

1 reference

1-Isopropyl-3-{trans-4-[(8-isopropyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl}urea (English)

19 October 2016

1 reference

CHEMBL3577868 (English)

19 October 2016

0 references

1 reference

4Y5H (English)