Molecule card · MolClass #35570
855645
855645: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 855645Mitochondrial Fusion · compound_name
- MolClass ID
- 35570
- InChIKey
- HBUBKKRHXORPQB-FJFJXFQQSA-N
- Canonical SMILES
- Nc3nc(F)nc1c3(ncn1C2OC(CO)C(O)C2(O))
- Standard InChI
- InChI=1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6+,9-/m1/s1
- Stored Murcko scaffold
- n1cnc2c(ncn2C3OCCC3)c1
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.
- LOPAC 00702#110
- LOPAC 00015#116
- LOPAC 00016#133
- LOPAC 00011#192
- LOPAC 00014#248
- LOPAC 00029#307
- LOPAC 00858#374
- LOPAC 00010#419
- LOPAC 00958#575
- LOPAC 01046#688
- LOPAC 00050#690
- LOPAC 00052#691
- LOPAC 01337#744
- LOPAC 00464#1110
- N6-methyladenosine#1480
- Thioguanosine#1525
- Adenosine 5'-monophosphate monohydrate#1563
- Vidarabine#1795
- 3868-31-3#2544
- 73-03-0#3255
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 4
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 139.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 285.232 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -1.167
- 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 · 855645