Molecule card · MolClass #48604

24707990

24707990: 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: 24707990Mitochondrial Fusion · compound_name
MolClass ID: 48604
InChIKey: SKSPDNQCJKPBOG-ISKFKSNPSA-N
Canonical SMILES: COc1ccccc1C4C(=NN(c2ccccc2)C4(C(=O)N3CCOC3(=O)))c5cccc(c5)Cl
Standard InChI: InChI=1S/C26H22ClN3O4/c1-33-21-13-6-5-12-20(21)22-23(17-8-7-9-18(27)16-17)28-30(19-10-3-2-4-11-19)24(22)25(31)29-14-15-34-26(29)32/h2-13,16,22,24H,14-15H2,1H3/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
24708206#48601
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: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 71.44 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 475.924 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.051; 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 · 24707990