Molecule card · MolClass #46650

14738011

14738011: 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: 14738011Mitochondrial Fusion · compound_name
MolClass ID: 46650
InChIKey: FLTXLFKOCAFOKC-UHFFFAOYSA-N
Canonical SMILES: CCOc1ccc(cc1)N4C(=O)c2cccnc2C4(Nc3ccc(C)c(C)c3)
Standard InChI: InChI=1S/C23H23N3O2/c1-4-28-19-11-9-18(10-12-19)26-22(21-20(23(26)27)6-5-13-24-21)25-17-8-7-15(2)16(3)14-17/h5-14,22,25H,4H2,1-3H3
Stored Murcko scaffold: n1cccc2[CH]N(c3ccccc3)C(Nc4ccccc4)c12

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.

4245703#44446
4243383#45005
4250757#45043

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 54.46 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 373.448 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.57; 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 · 14738011