Molecule card · MolClass #37590

24827048

24827048: 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: 24827048Mitochondrial Fusion · compound_name
MolClass ID: 37590
InChIKey: TWXICRBNLQTRHM-ZHACJKMWSA-N
Canonical SMILES: CC(=O)C=C(C)NC2=C(C)N(C)N(c1ccccc1)C2(=O)
Standard InChI: InChI=1S/C16H19N3O2/c1-11(10-12(2)20)17-15-13(3)18(4)19(16(15)21)14-8-6-5-7-9-14/h5-10,17H,1-4H3/b11-10+
Stored Murcko scaffold: c1ccc(cc1)N2[CH]C=CN2

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.

aminopyrine#1227
antipyrine#1229
Ampyrone#1315
Antipyrine, 4-hydroxy#1454
Dipyrone#1798
Isopyrin hydrochloride#1809
885-11-0#3315
5907-38-0#3588
479-92-5#5235
HMDB06240#24185
8004-9336#24551
24836703#36518
24826937#37447
24826793#37555
856543#38240
14723299#39239
3713732#39960
24829948#40639
14727000#44058
4260429#44261

View all molecules with this scaffold →

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 4; CDK 2.12 · 2026-08-19
Topological polar surface area: 52.65 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 285.342 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.473; 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 · 24827048