Structure of molecule 38793

Molecule card · MolClass #38793

14727839

14727839: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

Explore classification models

Structure and identifiers

Imported compound names
14727839Mitochondrial Fusion · compound_name
MolClass ID
38793
InChIKey
XYFHRLDFNOKNQV-PXQYURKDSA-N
Canonical SMILES
CCC(C)=NN=Cc1c(O)n(CC)c2cc(ccc12)C=3CCC(=O)NN=3
Standard InChI
InChI=1S/C19H23N5O2/c1-4-12(3)21-20-11-15-14-7-6-13(16-8-9-18(25)23-22-16)10-17(14)24(5-2)19(15)26/h6-7,10-11,26H,4-5,8-9H2,1-3H3,(H,23,25)/b20-11+,21-12-
Stored Murcko scaffold
N=1N[CH]CCC1c2ccc3cc[nH]c3c2

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
6
CDK 2.12 · 2026-08-19
Hydrogen bond donors
2
CDK 2.12 · 2026-08-19
Rotatable bonds
5
CDK 2.12 · 2026-08-19
Topological polar surface area
91.34 Ų
CDK 2.12 · 2026-08-19
Molecular weight
353.419 g/mol
CDK 2.12 · 2026-08-19
XLogP
4.226
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 · 14727839