Molecule card · MolClass #36361

864154

864154: 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: 864154Mitochondrial Fusion · compound_name
MolClass ID: 36361
InChIKey: PPNMBHZXDJFKNX-UHFFFAOYSA-N
Canonical SMILES: CCN1C(=O)N(C)C(N(O)C(=O)NC)C1(C)(C)
Standard InChI: InChI=1S/C10H20N4O3/c1-6-13-9(16)12(5)7(10(13,2)3)14(17)8(15)11-4/h7,17H,6H2,1-5H3,(H,11,15)
Stored Murcko scaffold: [N]1[CH][N]CC1

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.

NOCAS_M137#2782
14742064#36005

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 4; CDK 2.12 · 2026-08-19
Topological polar surface area: 76.12 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 244.291 g/mol; CDK 2.12 · 2026-08-19
XLogP: -0.506; 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.

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Source datasets

Dataset registrations and identifiers stored in MolClass.

Mitochondrial Fusion
Dataset #19 · 864154