Molecule card · MolClass #50553

17510319

17510319: 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: 17510319Mitochondrial Fusion · compound_name
MolClass ID: 50553
InChIKey: FAZQXBWAGRFSFP-UHFFFAOYSA-N
Canonical SMILES: Cc1cccc(c1)NC(N(C)Cc2cn(C)c3ccccc23)=S
Standard InChI: InChI=1S/C19H21N3S/c1-14-7-6-8-16(11-14)20-19(23)22(3)13-15-12-21(2)18-10-5-4-9-17(15)18/h4-12H,13H2,1-3H3,(H,20,23)
Stored Murcko scaffold: [N]([CH]Nc1ccccc1)Cc2c[nH]c3ccccc32

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: 2; 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: 52.29 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 323.457 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.813; 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 · 17510319