Molecule card · MolClass #36854

24830603

24830603: 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: 24830603Mitochondrial Fusion · compound_name
MolClass ID: 36854
InChIKey: MTZWWSDRUJFPCF-UHFFFAOYSA-N
Canonical SMILES: CCn1cc[n+](CC)c1P(=O)(N(CC)CC)N(CC)CC
Standard InChI: InChI=1S/C15H32N4OP/c1-7-16-13-14-17(8-2)15(16)21(20,18(9-3)10-4)19(11-5)12-6/h13-14H,7-12H2,1-6H3/q+1
Stored Murcko scaffold: c1c[nH+]c[nH]1

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.

78865-83-5#7715
861898#27280
22412886#27828
862125#28708
24829383#30752
22412781#34032
24811397#34643
22403577#35615
859980#35647
22414519#36238

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: 9; CDK 2.12 · 2026-08-19
Topological polar surface area: 42.17 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 315.415 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.075; 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.

No saved predictions yet. Explore classification models to choose a prediction.

Source datasets

Dataset registrations and identifiers stored in MolClass.

Mitochondrial Fusion
Dataset #19 · 24830603