Molecule card · MolClass #15124
2067670
2067670: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- MolClass ID
- 15124
- InChIKey
- CMTPDRCZFYKXSD-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(ncn1)N2CCN(C)CC2
- Standard InChI
- InChI=1S/C10H16N4/c1-9-7-10(12-8-11-9)14-5-3-13(2)4-6-14/h7-8H,3-6H2,1-2H3
- Stored Murcko scaffold
- n1cnc(cc1)N2CCNCC2
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.
- 24804875#36646
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 32.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 192.261 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.477
- 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 · 2067670