Molecule card · MolClass #16303

1453550

1453550: 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: 16303
InChIKey: FEYCILDZMVVXLY-UHFFFAOYSA-N
Canonical SMILES: CC2Nc1ccccc1C(=O)N2c3ccccc3(O)
Standard InChI: InChI=1S/C15H12N2O2/c1-10-16-12-7-3-2-6-11(12)15(19)17(10)13-8-4-5-9-14(13)18/h2-9,18H,1H3
Stored Murcko scaffold: N1=CN([CH]c2ccccc12)c3ccccc3

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.

1815493#10489
1510896#16738
1674114#18006
103184579#25415
17416043#50881
COC(=O)CSC1=Nc2ccccc2C(=O)N1c1ccccc1#152374
[O-][N+](=O)c1ccc(cc1C(F)(F)F)N1C=Nc2ccccc2C1=O#153567

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 1; CDK 2.12 · 2026-08-19
Topological polar surface area: 37.3 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 252.269 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.876; 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.

Auto-fluorescence Prediction
Dataset #13 · 1453550