Molecule card · MolClass #37803

4250273

4250273: 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: 4250273Mitochondrial Fusion · compound_name
MolClass ID: 37803
InChIKey: UOHXLVYVKFLPNS-UHFFFAOYSA-N
Canonical SMILES: Cc1cc(no1)N4C(=O)C2CCCN2C4(c3ccc(c(c3)Cl)Cl)
Standard InChI: InChI=1S/C16H15Cl2N3O2/c1-9-7-14(19-23-9)21-15(10-4-5-11(17)12(18)8-10)20-6-2-3-13(20)16(21)22/h4-5,7-8,13,15H,2-3,6H2,1H3
Stored Murcko scaffold: n1occc1N2[CH]C3N(CCC3)C2c4ccccc4

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.

4246393#36895
4243474#37392
4249503#39130

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: 49.58 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 352.216 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.819; 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 · 4250273