CCG-1423   

GtoPdb Ligand ID: 6761

Synonyms: CCG 1423 | CCG1423
Compound class: Synthetic organic
Comment: CCG-1423 inhibits RhoA transcriptional signaling via an unknown mechanism of action but is tool compound for the disruption of transcriptional responses of the Rho pathway in cancer.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 67.43
Molecular weight 454.05
XLogP 5.32
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES O=C(C(ONC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)Nc1ccc(cc1)Cl
Isomeric SMILES O=C(C(ONC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)Nc1ccc(cc1)Cl
InChI InChI=1S/C18H13ClF6N2O3/c1-9(15(28)26-14-4-2-13(19)3-5-14)30-27-16(29)10-6-11(17(20,21)22)8-12(7-10)18(23,24)25/h2-9H,1H3,(H,26,28)(H,27,29)
InChI Key DSMXVSGJIDFLKP-UHFFFAOYSA-N
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InChI standard key Download

Molecular structure representations generated using Open Babel