Molecule card · MolClass #41858

860883

860883: 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: 860883Mitochondrial Fusion · compound_name
MolClass ID: 41858
InChIKey: OMZRRIFLLAJNSQ-YGFFAISXSA-N
Canonical SMILES: Cc1ccc(cc1)N2C(=O)C4C(C2(=O))C(C(=O)c3ccccc3)N5CCCC45
Standard InChI: InChI=1S/C23H22N2O3/c1-14-9-11-16(12-10-14)25-22(27)18-17-8-5-13-24(17)20(19(18)23(25)28)21(26)15-6-3-2-4-7-15/h2-4,6-7,9-12,17-20H,5,8,13H2,1H3/t17?,18-,19-,20+/m1/s1
Stored Murcko scaffold: c1ccc(cc1)[CH]C2N3CCCC3C4[CH]N([CH]C24)c5ccccc5

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.

864183#41824
864341#44815
864545#47447

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 57.69 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 374.433 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.565; 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 · 860883