Molecule card · MolClass #49453

24800610

24800610: 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: 24800610Mitochondrial Fusion · compound_name
MolClass ID: 49453
InChIKey: TVFVSMYKTZQONF-UHFFFAOYSA-N
Canonical SMILES: Cc1ccc(cc1)n3cc(CN(C)Cc2nccn2(C))c(n3)c4ccc(F)cc4
Standard InChI: InChI=1S/C23H24FN5/c1-17-4-10-21(11-5-17)29-15-19(14-27(2)16-22-25-12-13-28(22)3)23(26-29)18-6-8-20(24)9-7-18/h4-13,15H,14,16H2,1-3H3
Stored Murcko scaffold: n1cc[nH]c1CNCc2cn(nc2-c3ccccc3)-c4ccccc4

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.

24800597#30321
24800258#32887
24800814#49450
24800597#49454
24798067#49477
24783789#49747

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; 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: 38.88 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 389.469 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.289; 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 · 24800610