Molecule card · MolClass #52209

4241108

4241108: 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: 4241108Mitochondrial Fusion · compound_name
MolClass ID: 52209
InChIKey: OZJZAHYJFKHRHA-UHFFFAOYSA-N
Canonical SMILES: N=C3C=1CCCCC=1N(Cc2ccc(cc2Cl)Cl)C=4CCCC3=4
Standard InChI: InChI=1S/C19H20Cl2N2/c20-13-9-8-12(16(21)10-13)11-23-17-6-2-1-4-14(17)19(22)15-5-3-7-18(15)23/h8-10,22H,1-7,11H2
Stored Murcko scaffold: c1ccc(cc1)CN2C3=C([CH]C4=C2CCCC4)CCC3

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.

4246262#31213
24802698#49448
22413684#49893
14724323#51859

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 2; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 2; CDK 2.12 · 2026-08-19
Topological polar surface area: 27.09 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 347.282 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.116; 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 · 4241108