Molecule card · MolClass #37820

24798444

24798444: 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: 24798444Mitochondrial Fusion · compound_name
MolClass ID: 37820
InChIKey: RNQDALGHKDGXDQ-UHFFFAOYSA-N
Canonical SMILES: Cc1ccc(cc1)CN3CCN(Cc2ccon2)CC3(CCO)
Standard InChI: InChI=1S/C18H25N3O2/c1-15-2-4-16(5-3-15)12-21-9-8-20(14-18(21)6-10-22)13-17-7-11-23-19-17/h2-5,7,11,18,22H,6,8-10,12-14H2,1H3
Stored Murcko scaffold: n1occc1CN2CCN(Cc3ccccc3)CC2

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.

24798771#27258
24800646#37340
24798068#37693
24799910#38522

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: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 52.74 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 315.411 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.926; 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 · 24798444