Molecule card · MolClass #37432

17507481

17507481: 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: 17507481Mitochondrial Fusion · compound_name
MolClass ID: 37432
InChIKey: QZHVTDMGCHUGCM-UHFFFAOYSA-N
Canonical SMILES: Cc5ncc(C[n+]4csc(CCOC(=O)CC23(CC1CC(CC(C1)C2)C3))c4(C))c(N)n5
Standard InChI: InChI=1S/C24H33N4O2S/c1-15-21(31-14-28(15)13-20-12-26-16(2)27-23(20)25)3-4-30-22(29)11-24-8-17-5-18(9-24)7-19(6-17)10-24/h12,14,17-19H,3-11,13H2,1-2H3,(H2,25,26,27)/q+1
Stored Murcko scaffold: n1cncc(c1)C[n+]2csc(c2)CCO[CH]CC34CC5CC(CC(C5)C3)C4

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.

No other molecules currently have this stored scaffold.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 8; CDK 2.12 · 2026-08-19
Topological polar surface area: 110.22 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 441.611 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.266; 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 · 17507481