Molecule card · MolClass #36797

7975900

7975900: 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: 7975900Mitochondrial Fusion · compound_name
MolClass ID: 36797
InChIKey: YHYJRTZOOFLMRM-UHFFFAOYSA-N
Canonical SMILES: CC=3C=C(C)c4c1c(C(=O)N(C)C(=O)N1(C))c(c2ccccc2)n4(N=3)
Standard InChI: InChI=1S/C19H18N4O2/c1-11-10-12(2)20-23-15(11)17-14(16(23)13-8-6-5-7-9-13)18(24)22(4)19(25)21(17)3/h5-10H,1-4H3
Stored Murcko scaffold: n1cnc2c(c1)c(-c3ccccc3)n4ncccc24

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.

849106#28138
4264047#36505

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 5; 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: 57.92 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 334.373 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.351; 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 · 7975900