Molecule card · MolClass #41107

24803484

24803484: 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: 24803484Mitochondrial Fusion · compound_name
MolClass ID: 41107
InChIKey: JNXNQMJFKJBQPM-UHFFFAOYSA-N
Canonical SMILES: CC(C)Nc1nc(NC(C)C)nc(n1)Nn2cnnc2
Standard InChI: InChI=1S/C11H19N9/c1-7(2)14-9-16-10(15-8(3)4)18-11(17-9)19-20-5-12-13-6-20/h5-8H,1-4H3,(H3,14,15,16,17,18,19)
Stored Murcko scaffold: n1ncn(c1)Nc2ncncn2

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.

7973102#26032
856324#27972
26658952#33475
848374#47292

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 8; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 3; CDK 2.12 · 2026-08-19
Rotatable bonds: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 105.47 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 277.329 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.471; 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 · 24803484