Molecule card · MolClass #41279

24841714

24841714: 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: 24841714Mitochondrial Fusion · compound_name
MolClass ID: 41279
InChIKey: UGUBLCDYYBDZDZ-VXSFFCHMSA-N
Canonical SMILES: CCC(C)C(CN(N=O)C(Cc1ccccc1)CN(C)N=O)N(CCc2ccccc2)N=O
Standard InChI: InChI=1S/C24H34N6O3/c1-4-20(2)24(29(26-32)16-15-21-11-7-5-8-12-21)19-30(27-33)23(18-28(3)25-31)17-22-13-9-6-10-14-22/h5-14,20,23-24H,4,15-19H2,1-3H3/t20?,23-,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
24841728#41271
24841727#41272

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: 4.212; 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 · 24841714