Molecule card · MolClass #41271

24841728

24841728: 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: 24841728Mitochondrial Fusion · compound_name
MolClass ID: 41271
InChIKey: IGSOZHYFSGNPDF-ZEQRLZLVSA-N
Canonical SMILES: CC(C)CC(CN(N=O)C(Cc1ccccc1)CN(C)N=O)N(CCc2ccccc2)N=O
Standard InChI: InChI=1S/C24H34N6O3/c1-20(2)16-23(29(26-32)15-14-21-10-6-4-7-11-21)19-30(27-33)24(18-28(3)25-31)17-22-12-8-5-9-13-22/h4-13,20,23-24H,14-19H2,1-3H3/t23-,24-/m0/s1
Stored Murcko scaffold: c1ccc(cc1)CCNCCNCCc2ccccc2

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.

24841729#32922
24841727#41272
24841714#41279

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: 16; CDK 2.12 · 2026-08-19
Topological polar surface area: 98.01 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 454.566 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.423; 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 · 24841728