Molecule card · MolClass #37267

24818950

24818950: 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: 24818950Mitochondrial Fusion · compound_name
MolClass ID: 37267
InChIKey: LIHHOYWEMKSHCD-UHFFFAOYSA-N
Canonical SMILES: CCCN2C=CC(O)=C(Cc1ccc(cc1)Cl)C2(=O)
Standard InChI: InChI=1S/C15H16ClNO2/c1-2-8-17-9-7-14(18)13(15(17)19)10-11-3-5-12(16)6-4-11/h3-7,9,18H,2,8,10H2,1H3
Stored Murcko scaffold: n1cccc(c1)Cc2ccccc2

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.

49649014#31567
17409612#37282
24791050#38300
4262189#38329
24818918#39296
22404088#48473
[O-][N+](=O)c1cc(C)c(c(C(C)c2ccc(C)nc2)c1C)[N+]([O-])=O#152501

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: 4; CDK 2.12 · 2026-08-19
Topological polar surface area: 40.54 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 277.747 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.061; 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 · 24818950