Structure of molecule 43007

Molecule card · MolClass #43007

7970988

7970988: 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
7970988Mitochondrial Fusion · compound_name
MolClass ID
43007
InChIKey
OPMKPUQAGYVFLJ-UHFFFAOYSA-N
Canonical SMILES
Cc2ccc3OC=4C(=O)N(CCCN(C)C)C(c1cccs1)C=4(C(=O)c3(c2))
Standard InChI
InChI=1S/C21H22N2O3S/c1-13-7-8-15-14(12-13)19(24)17-18(16-6-4-11-27-16)23(10-5-9-22(2)3)21(25)20(17)26-15/h4,6-8,11-12,18H,5,9-10H2,1-3H3
Stored Murcko scaffold
[N]1[CH]C=2Oc3ccccc3[CH]C2C1c4sccc4

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
4
CDK 2.12 · 2026-08-19
Hydrogen bond donors
0
CDK 2.12 · 2026-08-19
Rotatable bonds
5
CDK 2.12 · 2026-08-19
Topological polar surface area
78.09 Ų
CDK 2.12 · 2026-08-19
Molecular weight
382.478 g/mol
CDK 2.12 · 2026-08-19
XLogP
2.167
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 · 7970988