Molecule card · MolClass #37853

7969884

7969884: 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: 7969884Mitochondrial Fusion · compound_name
MolClass ID: 37853
InChIKey: LZBPNVJQMWNJMB-UHFFFAOYSA-N
Canonical SMILES: CC1CN(CC(C)O1)C(c2ccco2)c4c(O)n3ncnc3s4
Standard InChI: InChI=1S/C15H18N4O3S/c1-9-6-18(7-10(2)22-9)12(11-4-3-5-21-11)13-14(20)19-15(23-13)16-8-17-19/h3-5,8-10,12,20H,6-7H2,1-2H3
Stored Murcko scaffold: n1cnn2cc(sc12)C(c3occc3)N4CCOCC4

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.

7970056#42547
4242058#43647

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 104.27 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 334.395 g/mol; CDK 2.12 · 2026-08-19
XLogP: 0.717; 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 · 7969884