Molecule card · MolClass #42832

24816049

24816049: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

Explore classification models

Structure and identifiers

Imported compound names: 24816049Mitochondrial Fusion · compound_name
MolClass ID: 42832
InChIKey: GUWLARQVLXWQTR-UHFFFAOYSA-N
Canonical SMILES: Cc1ccc(cc1(C))n3nnc2C(=O)N(C=Nc23)Cc4ccccn4
Standard InChI: InChI=1S/C18H16N6O/c1-12-6-7-15(9-13(12)2)24-17-16(21-22-24)18(25)23(11-20-17)10-14-5-3-4-8-19-14/h3-9,11H,10H2,1-2H3
Stored Murcko scaffold: n1nn(-c2ccccc2)c3N=CN([CH]c13)Cc4ncccc4

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.

24782292#41452
24815963#41559
24815957#41560

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 6; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 76.27 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 332.36 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.291; 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 · 24816049