(1S,3R,7S)-17-methoxy-4,6-dioxa-12-azapentacyclo[10.8.0.0¹,⁹.0³,⁷.0¹⁵,²⁰]icosa-8,15(20),16,18-tetraene-18-carboxamide
AlkaPlorer ID: AK112632
Synonym: None
IUPAC Name: (1S,3R,7S)-17-methoxy-4,6-dioxa-12-azapentacyclo[10.8.0.01,9.03,7.015,20]icosa-8,15,17,19-tetraene-18-carboxamide
Structure
SMILES: COC1=CC2=C(C=C1C(N)=O)[C@]13C[C@H]4OCO[C@H]4C=C1CCN3CC2
InChI: InChI=1S/C19H22N2O4/c1-23-15-6-11-2-4-21-5-3-12-7-16-17(25-10-24-16)9-19(12,21)14(11)8-13(15)18(20)22/h6-8,16-17H,2-5,9-10H2,1H3,(H2,20,22)/t16-,17+,19-/m0/s1
InChIKey: QCGHEAJFTHQMHI-SCTDSRPQSA-N
Source
Properties Information
Molecule Weight: 342.3950000000001
TPSA？: 74.02
MolLogP？: 1.3228
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Neuronal acetylcholine receptor; alpha3/beta4 | Activity | nan | None | 10.1021/np060291a |
| Rattus norvegicus | Neuronal acetylcholine receptor; alpha3/beta4 | IC50 | 94000.0 | nM | 10.1021/np060291a |