Molecule card · MolClass #50515

17510829

17510829: 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: 17510829Mitochondrial Fusion · compound_name
MolClass ID: 50515
InChIKey: ZVYQNBJYONVHAK-UHFFFAOYSA-N
Canonical SMILES: Cc1ccc(cc1)C=3c4ccccc4(C(=O)OC=3(C(=O)N(C)Cc2ccccc2))
Standard InChI: InChI=1S/C25H21NO3/c1-17-12-14-19(15-13-17)22-20-10-6-7-11-21(20)25(28)29-23(22)24(27)26(2)16-18-8-4-3-5-9-18/h3-15H,16H2,1-2H3
Stored Murcko scaffold: [N]([CH]C=1O[CH]c2ccccc2C1c3ccccc3)Cc4ccccc4

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: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 46.61 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 383.44 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.651; 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 · 17510829