Molecule card · MolClass #38495

14727602

14727602: 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: 14727602Mitochondrial Fusion · compound_name
MolClass ID: 38495
InChIKey: STKRDLVYJCQWDA-UHFFFAOYSA-N
Canonical SMILES: Cc1cc2NC(=O)CC(=Nc2(cc1(C)))C(F)(F)C(F)(F)C(F)(F)F
Standard InChI: InChI=1S/C14H11F7N2O/c1-6-3-8-9(4-7(6)2)23-11(24)5-10(22-8)12(15,16)13(17,18)14(19,20)21/h3-4H,5H2,1-2H3,(H,23,24)
Stored Murcko scaffold: N1=CC[CH]Nc2ccccc12

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.

1951859#17615
ZINC06202724#23590
4264407#31529
4263032#36469
14728292#38196
863574#40780
7973827#43391

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 41.46 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 356.239 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.713; 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 · 14727602