Molecule card · MolClass #38311

22412024

22412024: 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: 22412024Mitochondrial Fusion · compound_name
MolClass ID: 38311
InChIKey: KFPPXWZRCYJONU-UHFFFAOYSA-N
Canonical SMILES: CN(C)c1c(N)nc2c(c1(O))C(=O)N(C)C(=O)N2(C)
Standard InChI: InChI=1S/C11H15N5O3/c1-14(2)6-7(17)5-9(13-8(6)12)15(3)11(19)16(4)10(5)18/h1-4H3,(H3,12,13,17)
Stored Murcko scaffold: n1cnc2ncccc2c1

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.

7975699#26396
4242886#28840
24823052#31446
26658062#32730
22414525#34813
24797548#39446
17409060#40051

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 8; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 1; CDK 2.12 · 2026-08-19
Topological polar surface area: 103 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 265.269 g/mol; CDK 2.12 · 2026-08-19
XLogP: -0.045; 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 · 22412024