Structure of molecule 26032

Molecule card · MolClass #26032

7973102

7973102: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

2 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names
7973102Antifungal Pump Inhibitors · compound_name
7973102Mitochondrial Fusion · compound_name
MolClass ID
26032
InChIKey
FUZLTVDZVKIRKJ-UHFFFAOYSA-N
Canonical SMILES
CCNc1nc(NC(C)C)nc(n1)Nn2cnnc2
Standard InChI
InChI=1S/C10H17N9/c1-4-11-8-15-9(14-7(2)3)17-10(16-8)18-19-5-12-13-6-19/h5-7H,4H2,1-3H3,(H3,11,14,15,16,17,18)
Stored Murcko scaffold
n1ncn(c1)Nc2ncncn2

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.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors
8
CDK 2.12 · 2026-08-19
Hydrogen bond donors
3
CDK 2.12 · 2026-08-19
Rotatable bonds
6
CDK 2.12 · 2026-08-19
Topological polar surface area
105.47 Ų
CDK 2.12 · 2026-08-19
Molecular weight
263.303 g/mol
CDK 2.12 · 2026-08-19
XLogP
2.011
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.

  • Antifungal Pump Inhibitors

    Dataset #18 · 7973102

  • Mitochondrial Fusion

    Dataset #19 · 7973102