Molecule card · MolClass #38556

24834881

24834881: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

Explore classification models

Structure and identifiers

Imported compound names: 24834881Mitochondrial Fusion · compound_name
MolClass ID: 38556
InChIKey: GJOJUPDTVUNMCX-UHFFFAOYSA-N
Canonical SMILES: Cc1ccc(cc1(C))n4c2cc(cc[n+]2c(C(=O)Nc3ccc(cc3)OC(F)F)c4[S-])C(=O)NCCO
Standard InChI: InChI=1S/C26H24F2N4O4S/c1-15-3-6-19(13-16(15)2)32-21-14-17(23(34)29-10-12-33)9-11-31(21)22(25(32)37)24(35)30-18-4-7-20(8-5-18)36-26(27)28/h3-9,11,13-14,26,33H,10,12H2,1-2H3,(H2-,29,30,34,35,37)
Stored Murcko scaffold: c1ccc(cc1)N[CH]c2cn(-c3ccccc3)c4cccc[n+]24

Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.

Molecules with the same Murcko scaffold

Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.

14743737#37179
24826593#38557

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 3; CDK 2.12 · 2026-08-19
Rotatable bonds: 10; CDK 2.12 · 2026-08-19
Topological polar surface area: 96.69 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 526.557 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.845; CDK 2.12 · 2026-08-19

Saved model predictions

Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.

No saved predictions yet. Explore classification models to choose a prediction.

Source datasets

Dataset registrations and identifiers stored in MolClass.

Mitochondrial Fusion
Dataset #19 · 24834881