Molecule card · MolClass #2343

N- (9-FLUORENYLMETHOXYCARBONYL)-L-LEUCINE (NPC-15199)

N- (9-FLUORENYLMETHOXYCARBONYL)-L-LEUCINE (NPC-15199): 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: N- (9-FLUORENYLMETHOXYCARBONYL)-L-LEUCINE (NPC-15199)Compound accumulation in C. elegans · compound_name
MolClass ID: 2343
InChIKey: CBPJQFCAFFNICX-IBGZPJMESA-N
Canonical SMILES: CC(C)CC(NC(=O)OCC2c3ccccc3(c1ccccc12))C(=O)O
Standard InChI: InChI=1S/C21H23NO4/c1-13(2)11-19(20(23)24)22-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24)/t19-/m0/s1
Stored Murcko scaffold: c1ccc2c(c1)-c3ccccc3C2

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.

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Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 8; CDK 2.12 · 2026-08-19
Topological polar surface area: 75.63 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 353.412 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.334; CDK 2.12 · 2026-08-19

Saved model predictions

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Source datasets

Dataset registrations and identifiers stored in MolClass.

Compound accumulation in C. elegans
Dataset #4 · -9.08782735605893