Molecule card · MolClass #38421

7968801

7968801: 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: 7968801Mitochondrial Fusion · compound_name
MolClass ID: 38421
InChIKey: ODLZWSSKUKNIMI-UHFFFAOYSA-N
Canonical SMILES: Cc1nc(c3c(n1)N(c2ccccc2)C(=S)S3)N4CCN(C)CC4
Standard InChI: InChI=1S/C17H19N5S2/c1-12-18-15(21-10-8-20(2)9-11-21)14-16(19-12)22(17(23)24-14)13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3
Stored Murcko scaffold: n1cnc(c2S[CH]N(c3ccccc3)c12)N4CCNCC4

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.

7967771#35380
7967682#38433

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: 2; CDK 2.12 · 2026-08-19
Topological polar surface area: 92.89 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 357.499 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.435; 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 · 7968801