Molecule card · MolClass #37875

17403280

17403280: 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: 17403280Mitochondrial Fusion · compound_name
MolClass ID: 37875
InChIKey: CJZPAMDCZNRDRJ-UHFFFAOYSA-N
Canonical SMILES: CC(=O)N4N=C2C1CCN(CC1)C2C4(c3ccccc3)
Standard InChI: InChI=1S/C16H19N3O/c1-11(20)19-15(13-5-3-2-4-6-13)16-14(17-19)12-7-9-18(16)10-8-12/h2-6,12,15-16H,7-10H2,1H3
Stored Murcko scaffold: N=1[N]C(c2ccccc2)C3C1C4CCN3CC4

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.

1785293#18405
22400533#27753
17403443#37675
22400534#38613
[O-][N+](=O)c1cccc(c1)C1C2N3CCC(CC3)C2=NN1C(C)=O#151169
COc1ccc(cc1)C1C2N3CCC(CC3)C2=NN1C(C)=O#151170

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 2; CDK 2.12 · 2026-08-19
Topological polar surface area: 35.91 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 269.342 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.865; 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 · 17403280