Molecule card · MolClass #41671

7970185

7970185: 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: 7970185Mitochondrial Fusion · compound_name
MolClass ID: 41671
InChIKey: DCKZWHBUPZJBPH-UHFFFAOYSA-N
Canonical SMILES: Cc1cc(F)ccc1S(=O)(=O)NC2=C(C)N(C)N(C2(=O))c3ccccc3
Standard InChI: InChI=1S/C18H18FN3O3S/c1-12-11-14(19)9-10-16(12)26(24,25)20-17-13(2)21(3)22(18(17)23)15-7-5-4-6-8-15/h4-11,20H,1-3H3
Stored Murcko scaffold: S(NC1=CNN([CH]1)c2ccccc2)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.

CN1N(C(=O)C(NS(=O)(=O)c2ccc(NC(C)=O)cc2)=C1C)c1ccccc1#154335

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 6; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 4; CDK 2.12 · 2026-08-19
Topological polar surface area: 78.1 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 375.419 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.155; 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 · 7970185