BIAdb Asimilobine 1229
From DrugPedia: A Wikipedia for Drug discovery
| BIAdb Asimilobine 1229
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C17H17NO2 |
| Mol. mass | 267.32238 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Nelumbro nucifera
[edit] Function
5HT1A Inhibitor
[edit] General Properties
*Molecular Weight
267.32238
*Exact Mass
267.125929
*Molecular Formula
C17H17NO2
*IUPAC NAME
N/A
*Canonical Smiles
COC1=C(C=C2CCNC3C2=C1C4=CC=CC=C4C3)O
*Isomeric Smiles
COC1=C(C=C2CCN[C@H]3C2=C1C4=CC=CC=C4C3)O
*XLogP
2.6
*Hydrogen bond donor
2
*Hydrogen bond acceptor
3
*Rotational Bond Count
1
*Topological Polar Surface Area
41.5
