Molecule card · MolClass #45624

14738609

14738609: 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: 14738609Mitochondrial Fusion · compound_name
MolClass ID: 45624
InChIKey: DLWKIQRVHKOBTQ-UHFFFAOYSA-N
Canonical SMILES: CC(C)(C)C1CCC2(CC1)(N(C(=O)CS2)c3ccccc3)
Standard InChI: InChI=1S/C18H25NOS/c1-17(2,3)14-9-11-18(12-10-14)19(16(20)13-21-18)15-7-5-4-6-8-15/h4-8,14H,9-13H2,1-3H3
Stored Murcko scaffold: S1C[CH]N(c2ccccc2)C13CCCCC3

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.

14726619#33583
24810701#43943
844410#47863

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 2; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 2; CDK 2.12 · 2026-08-19
Topological polar surface area: 45.61 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 303.464 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.306; 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 · 14738609