Molecule card · MolClass #39420

14737913

14737913: 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: 14737913Mitochondrial Fusion · compound_name
MolClass ID: 39420
InChIKey: CVNCBFNKRVRPCC-UHFFFAOYSA-N
Canonical SMILES: CCOC(CNC(=O)C1=CC=CN2C(=O)c3cc(ccc3(N=C12))Cl)OCC
Standard InChI: InChI=1S/C19H20ClN3O4/c1-3-26-16(27-4-2)11-21-18(24)13-6-5-9-23-17(13)22-15-8-7-12(20)10-14(15)19(23)25/h5-10,16H,3-4,11H2,1-2H3,(H,21,24)
Stored Murcko scaffold: N=1c2ccccc2[CH]N3C=CC=CC13

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.

112022-09-0#6097
24831706#29522
844305#40747

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 7; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 8; CDK 2.12 · 2026-08-19
Topological polar surface area: 80.23 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 389.833 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.837; 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.

No saved predictions yet. Explore classification models to choose a prediction.

Source datasets

Dataset registrations and identifiers stored in MolClass.

Mitochondrial Fusion
Dataset #19 · 14737913