Molecule card · MolClass #38160

14718739

14718739: 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: 14718739Mitochondrial Fusion · compound_name
MolClass ID: 38160
InChIKey: IRCCTADDCJDRJI-UHFFFAOYSA-N
Canonical SMILES: Cc1ccccc1N2C(=O)C3C4C=CC(C3(C2(=O)))N(C)C4(=O)
Standard InChI: InChI=1S/C17H16N2O3/c1-9-5-3-4-6-11(9)19-16(21)13-10-7-8-12(14(13)17(19)22)18(2)15(10)20/h3-8,10,12-14H,1-2H3
Stored Murcko scaffold: [N]1[CH]C2C=CC1C3[CH]N([CH]C23)c4ccccc4

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.

7972508#38684
14718738#45121

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 1; CDK 2.12 · 2026-08-19
Topological polar surface area: 57.69 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 296.321 g/mol; CDK 2.12 · 2026-08-19
XLogP: 0.239; 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 · 14718739