Molecule card · MolClass #49226

24816289

24816289: 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: 24816289Mitochondrial Fusion · compound_name
MolClass ID: 49226
InChIKey: UHNOESRYDLOZSI-UHFFFAOYSA-N
Canonical SMILES: Cc4ccc3c(nc(N(CCCN(C)C)C(=O)CN1C(=O)c2ccccc2(C1(=O)))s3)c4(C)
Standard InChI: InChI=1S/C24H26N4O3S/c1-15-10-11-19-21(16(15)2)25-24(32-19)27(13-7-12-26(3)4)20(29)14-28-22(30)17-8-5-6-9-18(17)23(28)31/h5-6,8-11H,7,12-14H2,1-4H3
Stored Murcko scaffold: [N]([CH]Cn1cc2ccccc2c1)c3nc4ccccc4s3

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: 7; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 8; CDK 2.12 · 2026-08-19
Topological polar surface area: 102.06 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 450.555 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.797; 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 · 24816289