Molecule card · MolClass #51697

14730846

14730846: 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: 14730846Mitochondrial Fusion · compound_name
MolClass ID: 51697
InChIKey: KUXIXKQQVHSSSQ-UHFFFAOYSA-N
Canonical SMILES: CCC(c2cn(CC(O)CN1CCN(C)CC1)c3ccccc23)=C(c4ccc(cc4)OC)c5ccc(cc5)OC
Standard InChI: InChI=1S/C34H41N3O3/c1-5-30(34(25-10-14-28(39-3)15-11-25)26-12-16-29(40-4)17-13-26)32-24-37(33-9-7-6-8-31(32)33)23-27(38)22-36-20-18-35(2)19-21-36/h6-17,24,27,38H,5,18-23H2,1-4H3
Stored Murcko scaffold: c1ccc(cc1)C(=Cc2cn(c3ccccc23)CCCN4CCNCC4)c5ccccc5

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: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 10; CDK 2.12 · 2026-08-19
Topological polar surface area: 50.1 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 539.709 g/mol; CDK 2.12 · 2026-08-19
XLogP: 6.188; 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 · 14730846