Molecule card · MolClass #36919

17512184

17512184: 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: 17512184Mitochondrial Fusion · compound_name
MolClass ID: 36919
InChIKey: QLOGCZCPJCGFFN-RRGRKSGHSA-N
Canonical SMILES: COc1ccc(cc1)C4=NOC5C2CC(C3C(=O)N(C)C(=O)C23)C45
Standard InChI: InChI=1S/C18H18N2O4/c1-20-17(21)12-10-7-11(13(12)18(20)22)16-14(10)15(19-24-16)8-3-5-9(23-2)6-4-8/h3-6,10-14,16H,7H2,1-2H3/t10-,11+,12+,13-,14+,16+/m0/s1
Stored Murcko scaffold: [N]1[CH]C2C([CH]1)C3CC2C4ON=C(c5ccccc5)C43

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.

26665776#33344
17512312#36593

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 2; CDK 2.12 · 2026-08-19
Topological polar surface area: 68.2 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 326.347 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.283; 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 · 17512184