Molecule card · MolClass #16230

1935917

1935917: 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

MolClass ID: 16230
InChIKey: LOXUFGSOOZYIOC-RGEXLXHISA-N
Canonical SMILES: Cc1cccc(c1)N4C(=O)c5ccccc5(NC4(C=C3C(=O)Nc2ccccc23))
Standard InChI: InChI=1S/C24H17N3O2/c1-15-7-6-8-16(13-15)27-22(25-21-12-5-3-10-18(21)24(27)29)14-19-17-9-2-4-11-20(17)26-23(19)28/h2-14H,1H3,(H,26,28)/b19-14-
Stored Murcko scaffold: N=1c2ccccc2[CH]N(C1C=C3[CH]Nc4ccccc34)c5ccccc5

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.

3379-0203#24388
4649-0220#24414
5043-0016#24425

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: 2; CDK 2.12 · 2026-08-19
Topological polar surface area: 46.17 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 379.412 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.518; 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.

Auto-fluorescence Prediction
Dataset #13 · 1935917