Molecule card · MolClass #37012

24786824

24786824: 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: 24786824Mitochondrial Fusion · compound_name
MolClass ID: 37012
InChIKey: CRLOBXFVWHKQLJ-UHFFFAOYSA-N
Canonical SMILES: Cc1cc(no1)NC(=O)C24(CC3CC(C2)CC(C3)(C4)n5cnc(n5)[N+](=O)[O-])
Standard InChI: InChI=1S/C17H20N6O4/c1-10-2-13(21-27-10)19-14(24)16-4-11-3-12(5-16)7-17(6-11,8-16)22-9-18-15(20-22)23(25)26/h2,9,11-12H,3-8H2,1H3,(H,19,21,24)
Stored Murcko scaffold: n1cnn(c1)C23CC4CC(CC([CH]Nc5nocc5)(C4)C2)C3

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: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 128.98 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 372.379 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.166; 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 · 24786824