lmmol · Compounds

Rupitasertib

InChIKey HXAUJHZZPCBFPN-QGZVFWFLSA-N Formula C21H19ClF3N5O PubChem CID 89808643 ChEMBL CHEMBL4871106

SMILES NC(=O)c1cccc2c(N[C@H](CN3CCC3)c3ccc(Cl)c(C(F)(F)F)c3)ncnc12

Structure

NONNNNClFFF

2D skeletal formula · rendered by chemkit from PubChem 2D coordinates.

Pseudo-3D ball-and-stick · chemkit, from PubChem 3D conformer coordinates.

Protein targets · 4 targets

Each resolved target links to its lmmol protein document; action and mechanism are from the bioactivity record.

A document in the lmmol reference corpus — a real compound (PubChem / ChEMBL identity, chemkit-rendered structure) cross-linked to the protein documents it targets. Hover any link to preview its target.