None
AlkaPlorer ID: AK450619
Synonym: None
IUPAC Name: None
Structure
SMILES: CCC1CN(C(=O)NC2=CSC=C2)C(CO)C1CN1CCC(F)(F)CC1
InChI: InChI=1S/C18H27F2N3O2S/c1-2-13-9-23(17(25)21-14-3-8-26-12-14)16(11-24)15(13)10-22-6-4-18(19,20)5-7-22/h3,8,12-13,15-16,24H,2,4-7,9-11H2,1H3,(H,21,25)
InChIKey: LWWMDSMBINKMDG-UHFFFAOYSA-N
Reference
Large-scale Metabolomic Profiling Identifies Novel Biomarkers for Incident Coronary Heart Disease
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
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Properties Information
Molecule Weight: 387.4960000000002
TPSA？: 55.81000000000001
MolLogP？: 3.330000000000002
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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