Molecule card · MolClass #45512

14740768

14740768: 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: 14740768Mitochondrial Fusion · compound_name
MolClass ID: 45512
InChIKey: FEVRAXSZZSFJDH-FYJGNVAPSA-N
Canonical SMILES: CC3(C)(C1(C)(CCC3(CC1(=NO))(C(=O)Nc2cc(ccc2Cl)Cl)))
Standard InChI: InChI=1S/C17H20Cl2N2O2/c1-15(2)16(3)6-7-17(15,9-13(16)21-23)14(22)20-12-8-10(18)4-5-11(12)19/h4-5,8,23H,6-7,9H2,1-3H3,(H,20,22)/b21-13+
Stored Murcko scaffold: c1ccc(cc1)N[CH]C23C[CH]C(CC2)C3

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.

22413624#40471
14741406#42454
22414824#43289
14740769#43856

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 2; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 61.69 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 355.259 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.715; 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 · 14740768