Molecule card · MolClass #51519

14738932

14738932: 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: 14738932Mitochondrial Fusion · compound_name
MolClass ID: 51519
InChIKey: BHPMPNLYBIODNW-UHFFFAOYSA-N
Canonical SMILES: CC(C)(C)C1CCc4c(C1)sc(NC(=O)c2cccs2)c4(C(=O)N3CCCCC3)
Standard InChI: InChI=1S/C23H30N2O2S2/c1-23(2,3)15-9-10-16-18(14-15)29-21(24-20(26)17-8-7-13-28-17)19(16)22(27)25-11-5-4-6-12-25/h7-8,13,15H,4-6,9-12,14H2,1-3H3,(H,24,26)
Stored Murcko scaffold: s1cccc1[CH]Nc2sc3c(c2[CH]N4CCCCC4)CCCC3

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.

No other molecules currently have this stored scaffold.

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: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 105.89 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 430.63 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.038; 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 · 14738932