Molecule card · MolClass #51238

17386767

17386767: 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: 17386767Mitochondrial Fusion · compound_name
MolClass ID: 51238
InChIKey: FCBGHVSDXYGNQG-UHFFFAOYSA-N
Canonical SMILES: Cc3cc(ccc3(OC(C)C(=O)N1CCCN(CC1)C(=O)C(C)Oc2ccc(cc2(C))Cl))Cl
Standard InChI: InChI=1S/C25H30Cl2N2O4/c1-16-14-20(26)6-8-22(16)32-18(3)24(30)28-10-5-11-29(13-12-28)25(31)19(4)33-23-9-7-21(27)15-17(23)2/h6-9,14-15,18-19H,5,10-13H2,1-4H3
Stored Murcko scaffold: O(c1ccccc1)C[CH]N2CCN([CH]COc3ccccc3)CCC2

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.

17433822#50777
17386636#51264

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: 8; CDK 2.12 · 2026-08-19
Topological polar surface area: 59.08 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 493.424 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.188; 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 · 17386767