Molecule card · MolClass #37758

24799880

24799880: 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: 24799880Mitochondrial Fusion · compound_name
MolClass ID: 37758
InChIKey: LQSPYJANHXSNPP-HWBMXIPRSA-N
Canonical SMILES: CCc1ccc(cc1)C3CC5CN(Cc2ccccc2(OC))C(=O)C45(CCCN34)
Standard InChI: InChI=1S/C25H30N2O2/c1-3-18-9-11-19(12-10-18)22-15-21-17-26(16-20-7-4-5-8-23(20)29-2)24(28)25(21)13-6-14-27(22)25/h4-5,7-12,21-22H,3,6,13-17H2,1-2H3/t21-,22-,25-/m0/s1
Stored Murcko scaffold: c1ccc(cc1)CN2[CH]C34N(CCC3)C(c5ccccc5)CC4C2

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.

24799428#36466
24782564#36847
24798825#36885
24800095#37428
24782322#37710

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 32.78 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 390.519 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.182; 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 · 24799880