Molecule card · MolClass #38279

7966791

7966791: 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: 7966791Mitochondrial Fusion · compound_name
MolClass ID: 38279
InChIKey: SBSATEQMPCDNCN-UHFFFAOYSA-N
Canonical SMILES: CCCCCC(C)n2nc(O)c1c(C)cc(C)nc12
Standard InChI: InChI=1S/C15H23N3O/c1-5-6-7-8-12(4)18-14-13(15(19)17-18)10(2)9-11(3)16-14/h9,12H,5-8H2,1-4H3,(H,17,19)
Stored Murcko scaffold: n1cc2cccnc2[nH]1

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 01346#391
LOPAC 00074#1177
1912088#15585
1969289#16710
8012-8541#24569
26661806#25581
24819244#26501
26726896#26756
845096#27197
24817567#27450
26727022#28108
17411538#28778
24833166#29975
4244028#32542
862617#36481
17410196#37037
24821260#37430
17402804#38514
14727646#46224
Cl.CCOC(=O)c1cnc2n(CC)ncc2c1NN=C(C)C#154129

View all molecules with this scaffold →

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 50.94 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 261.363 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.048; 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 · 7966791