Molecule card · MolClass #44949

863903

863903: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names: 863903Mitochondrial Fusion · compound_name
MolClass ID: 44949
InChIKey: IIZSBLCPCQBVMB-UHFFFAOYSA-N
Canonical SMILES: O=C3C5ON(c1ccccc1)C(c2ccccc2(F))C5(C(=O)N3c4ccccc4)
Standard InChI: InChI=1S/C23H17FN2O3/c24-18-14-8-7-13-17(18)20-19-21(29-26(20)16-11-5-2-6-12-16)23(28)25(22(19)27)15-9-3-1-4-10-15/h1-14,19-21H
Stored Murcko scaffold: O1N(c2ccccc2)C(c3ccccc3)C4[CH]N([CH]C14)c5ccccc5

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.

864239#42144
862519#44880
861909#46514
JFD 03552#81030

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 49.85 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 388.392 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.672; 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 · 863903