Molecule card · MolClass #48227

24801164

24801164: 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: 24801164Mitochondrial Fusion · compound_name
MolClass ID: 48227
InChIKey: OKVPUPXLGMFODQ-OQLLNIDSSA-N
Canonical SMILES: CN(C)CCCNC(=O)c1ccc(C=NO)nc1
Standard InChI: InChI=1S/C12H18N4O2/c1-16(2)7-3-6-13-12(17)10-4-5-11(9-15-18)14-8-10/h4-5,8-9,18H,3,6-7H2,1-2H3,(H,13,17)/b15-9+
Stored Murcko scaffold: n1ccccc1

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.

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Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 7; CDK 2.12 · 2026-08-19
Topological polar surface area: 77.82 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 250.297 g/mol; CDK 2.12 · 2026-08-19
XLogP: 0.414; 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 · 24801164