Molecule card · MolClass #48601

24708206

24708206: 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: 24708206Mitochondrial Fusion · compound_name
MolClass ID: 48601
InChIKey: OIXVJWWQCQXVEV-ISKFKSNPSA-N
Canonical SMILES: Cc1cccc(c1)C5=NN(c2ccc(cc2)Br)C(C(=O)N3CCOC3(=O))C5(c4ccc(F)cc4)
Standard InChI: InChI=1S/C26H21BrFN3O3/c1-16-3-2-4-18(15-16)23-22(17-5-9-20(28)10-6-17)24(25(32)30-13-14-34-26(30)33)31(29-23)21-11-7-19(27)8-12-21/h2-12,15,22,24H,13-14H2,1H3/t22-,24-/m1/s1
Stored Murcko scaffold: N1=C(c2ccccc2)C(c3ccccc3)C([CH]N4[CH]OCC4)N1c5ccccc5

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.

87334304#34115
24708147#47333
24707990#48604
24707791#48612

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 6; 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: 62.21 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 522.366 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.91; 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 · 24708206