Molecule card · MolClass #43107

14730525

14730525: 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: 14730525Mitochondrial Fusion · compound_name
MolClass ID: 43107
InChIKey: VXIZFBJYWYNFEU-UHFFFAOYSA-N
Canonical SMILES: Cc1cccc(c1)N4C(N=C(Nc2c(C)cccc2(C))C34(CCOC(C)(C)C3))=S
Standard InChI: InChI=1S/C24H29N3OS/c1-16-8-6-11-19(14-16)27-22(29)26-21(24(27)12-13-28-23(4,5)15-24)25-20-17(2)9-7-10-18(20)3/h6-11,14H,12-13,15H2,1-5H3,(H,25,26,29)
Stored Murcko scaffold: N=1[CH]N(c2ccccc2)C3(C1Nc4ccccc4)CCOCC3

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.

26670855#31102
14743254#41784

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 68.95 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 407.574 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.916; 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 · 14730525