Molecule card · MolClass #41819

24811613

24811613: 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: 24811613Mitochondrial Fusion · compound_name
MolClass ID: 41819
InChIKey: MJWVVFPWLBDPHR-UHFFFAOYSA-N
Canonical SMILES: CCOCCCN3C(=O)CN(C1CCC(C)CC1)C(=O)C3(c2ccc(C)cc2)
Standard InChI: InChI=1S/C23H34N2O3/c1-4-28-15-5-14-24-21(26)16-25(20-12-8-18(3)9-13-20)23(27)22(24)19-10-6-17(2)7-11-19/h6-7,10-11,18,20,22H,4-5,8-9,12-16H2,1-3H3
Stored Murcko scaffold: [N]1[CH]CN([CH]C1c2ccccc2)C3CCCCC3

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.

ZINC03038461#23742

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 7; CDK 2.12 · 2026-08-19
Topological polar surface area: 49.85 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 386.529 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.567; 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.

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Source datasets

Dataset registrations and identifiers stored in MolClass.

Mitochondrial Fusion
Dataset #19 · 24811613