Molecule card · MolClass #46809

7969614

7969614: 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: 7969614Mitochondrial Fusion · compound_name
MolClass ID: 46809
InChIKey: ZPKYMVZOZSLGSC-UHFFFAOYSA-N
Canonical SMILES: Cc1ccc(cc1)Cn3nnc2C(=O)N(C=Nc23)Cc4ccccc4(C)
Standard InChI: InChI=1S/C20H19N5O/c1-14-7-9-16(10-8-14)11-25-19-18(22-23-25)20(26)24(13-21-19)12-17-6-4-3-5-15(17)2/h3-10,13H,11-12H2,1-2H3
Stored Murcko scaffold: n1nn(c2N=CN([CH]c12)Cc3ccccc3)Cc4ccccc4

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.

4251242#41618
4244981#41768
4244102#43472
4248935#44327
4241216#46859
4241537#48551

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: 4; CDK 2.12 · 2026-08-19
Topological polar surface area: 63.38 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 345.399 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.598; 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 · 7969614