Molecule card · MolClass #51965

7976159

7976159: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

Explore classification models

Structure and identifiers

Imported compound names: 7976159Mitochondrial Fusion · compound_name
MolClass ID: 51965
InChIKey: CAHYBXRVISPHFZ-LHHJGKSTSA-N
Canonical SMILES: CC=C(C)CN1CCN(CC1)c2cc(C)ccc2(C)
Standard InChI: InChI=1S/C17H26N2/c1-5-14(2)13-18-8-10-19(11-9-18)17-12-15(3)6-7-16(17)4/h5-7,12H,8-11,13H2,1-4H3/b14-5+
Stored Murcko scaffold: c1ccc(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.

LOPAC 00545#203
LOPAC 00542#1040
Dropropizine (R,S)#1620
92-54-6#5328
1942993#17178
1985357#17492
22405328#28808
14726915#29881
14719166#31755
14731777#35293
24781204#46078
14726095#51849
Cl.COc1ccccc1N1CCNCC1#153840
Cl.Cl.Clc1cccc(c1)N1CCNCC1#153841
[O-][N+](=O)c1cc(ccc1N1CCN(CCO)CC1)C(F)(F)F#154144
Cl.FC(F)(F)c1cccc(N2CCNCC2)c1#155917

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: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 6.48 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 258.402 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.647; 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.

Mitochondrial Fusion
Dataset #19 · 7976159