Molecule card · MolClass #49450

24800814

24800814: 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: 24800814Mitochondrial Fusion · compound_name
MolClass ID: 49450
InChIKey: VIFYHPTYIUPYQF-UHFFFAOYSA-N
Canonical SMILES: Cc1ccc(cc1)n3cc(CN(C)Cc2nccn2(C))c(n3)c4cccc(C)c4
Standard InChI: InChI=1S/C24H27N5/c1-18-8-10-22(11-9-18)29-16-21(15-27(3)17-23-25-12-13-28(23)4)24(26-29)20-7-5-6-19(2)14-20/h5-14,16H,15,17H2,1-4H3
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
24800610#49453
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: 385.506 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.565; 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 · 24800814