Molecule card · MolClass #36709

24812637

24812637: 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: 24812637Mitochondrial Fusion · compound_name
MolClass ID: 36709
InChIKey: IXWIAMCLVVGXLI-UHFFFAOYSA-N
Canonical SMILES: Cc1ccc(cc1)c3nnn4c2ccccc2c(nc34)Cl
Standard InChI: InChI=1S/C16H11ClN4/c1-10-6-8-11(9-7-10)14-16-18-15(17)12-4-2-3-5-13(12)21(16)20-19-14/h2-9H,1H3
Stored Murcko scaffold: n1nn2c(ncc3ccccc32)c1-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.

1985216#15012
24823085#27121
24824743#28614
4246374#36897
22411924#38363
22411686#38995
24819554#39676

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: 1; CDK 2.12 · 2026-08-19
Topological polar surface area: 43.08 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 294.739 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.717; 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 · 24812637