Molecule card · MolClass #42996

24779610

24779610: 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: 24779610Mitochondrial Fusion · compound_name
MolClass ID: 42996
InChIKey: OZSYPYINMIFXSQ-UHFFFAOYSA-N
Canonical SMILES: Cc1cc(no1)NC(=O)CN4C=Nc3c(nnn3(c2cccc(F)c2))C4(=O)
Standard InChI: InChI=1S/C16H12FN7O3/c1-9-5-12(21-27-9)19-13(25)7-23-8-18-15-14(16(23)26)20-22-24(15)11-4-2-3-10(17)6-11/h2-6,8H,7H2,1H3,(H,19,21,25)
Stored Murcko scaffold: n1nn(c2N=CN([CH]c12)C[CH]Nc3nocc3)-c4ccccc4

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.

24779481#40360
24779683#43006
24824032#44704
24824225#44711

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 7; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 118.51 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 369.311 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.052; 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 · 24779610