Molecule card · MolClass #38872

7965622

7965622: 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: 7965622Mitochondrial Fusion · compound_name
MolClass ID: 38872
InChIKey: VKFQPRHPASNMKO-UHFFFAOYSA-N
Canonical SMILES: Cc2cc3ncc(c1ccc(cc1)Cl)c(N)n3(n2)
Standard InChI: InChI=1S/C13H11ClN4/c1-8-6-12-16-7-11(13(15)18(12)17-8)9-2-4-10(14)5-3-9/h2-7H,15H2,1H3
Stored Murcko scaffold: n1cc(cn2nccc12)-c3ccccc3

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.

24821801#31509
24821443#36269
24817882#36372
24821818#36945
24824569#38326

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 1; CDK 2.12 · 2026-08-19
Topological polar surface area: 56.21 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 258.707 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.193; 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 · 7965622