Structure of molecule 38809

Molecule card · MolClass #38809

14741772

14741772: 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
14741772Mitochondrial Fusion · compound_name
MolClass ID
38809
InChIKey
QHCXVSALLYBLFZ-CBPXPLCBSA-N
Canonical SMILES
CC(C)(C)C(=O)C4C2C(=O)N(Cc1ccccc1)C(=O)C2C3c5ccccc5(C=CN34)
Standard InChI
InChI=1S/C26H26N2O3/c1-26(2,3)23(29)22-20-19(21-18-12-8-7-11-17(18)13-14-27(21)22)24(30)28(25(20)31)15-16-9-5-4-6-10-16/h4-14,19-22H,15H2,1-3H3/t19-,20+,21+,22-/m0/s1
Stored Murcko scaffold
c1ccc(cc1)CN2[CH]C3CN4C=Cc5ccccc5C4C3[CH]2

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
5
CDK 2.12 · 2026-08-19
Hydrogen bond donors
0
CDK 2.12 · 2026-08-19
Rotatable bonds
4
CDK 2.12 · 2026-08-19
Topological polar surface area
57.69 Ų
CDK 2.12 · 2026-08-19
Molecular weight
414.497 g/mol
CDK 2.12 · 2026-08-19
XLogP
3.425
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 · 14741772