Molecule card · MolClass #39486

17510195

17510195: 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: 17510195Mitochondrial Fusion · compound_name
MolClass ID: 39486
InChIKey: RQSNRKFSTICTSR-UHFFFAOYSA-N
Canonical SMILES: Cc1c3ccccc3(nc2c(F)c(NCCO)c(F)c(F)c12)
Standard InChI: InChI=1S/C16H13F3N2O/c1-8-9-4-2-3-5-10(9)21-15-11(8)12(17)13(18)16(14(15)19)20-6-7-22/h2-5,20,22H,6-7H2,1H3
Stored Murcko scaffold: n1c2ccccc2cc3ccccc13

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.

View all molecules with this scaffold →

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 45.15 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 306.283 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.337; 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 · 17510195