Molecule card · MolClass #38631

24834994

24834994: 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: 24834994Mitochondrial Fusion · compound_name
MolClass ID: 38631
InChIKey: CDJFAUMDUMUUDI-UHFFFAOYSA-N
Canonical SMILES: CCCN2C(N)=C(NCCN1CCOCC1)C(=O)NC2(=O)
Standard InChI: InChI=1S/C13H23N5O3/c1-2-4-18-11(14)10(12(19)16-13(18)20)15-3-5-17-6-8-21-9-7-17/h15H,2-9,14H2,1H3,(H,16,19,20)
Stored Murcko scaffold: [N]1[CH]N[CH]C(=C1)NCCN2CCOCC2

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: 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: 99.93 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 297.354 g/mol; CDK 2.12 · 2026-08-19
XLogP: -0.424; 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 · 24834994