BIAdb C-Alkaloid G 1678

From DrugPedia: A Wikipedia for Drug discovery

(Difference between revisions)
Jump to: navigation, search
m
Current revision (09:50, 10 December 2009) (edit) (undo)
(→External Links)
 
(One intermediate revision not shown.)
Line 82: Line 82:
[http://crdd.osdd.net/raghava/biadb/detail.php?id=1678 Link to BIAdb Database]
[http://crdd.osdd.net/raghava/biadb/detail.php?id=1678 Link to BIAdb Database]
 +
 +
[[Category:BIAdb]]

Current revision

Show 3-D Structure

Show 2-D Structure

BIAdb C-Alkaloid G 1678
Systematic (IUPAC) name
N/A
Identifiers
CAS number  ?
ATC code  ?
PubChem 24847067
Chemical data
Formula C40H44N4O2+2
Mol. mass 612.80296
SMILES eMolecules & PubChem
Pharmacokinetic data
Bioavailability  ?
Metabolism  ?
Half life  ?
Excretion  ?
Therapeutic considerations
Pregnancy cat.

?

Legal status
Routes  ?

Contents

[edit] Description

[edit] Source

N/A

[edit] Function

Unknown

[edit] General Properties

*Molecular Weight

612.80296

*Exact Mass

612.346427

*Molecular Formula

C40H44N4O2+2

*IUPAC NAME

N/A

*Canonical Smiles

CC=C1C[N+]2(CCC34C2CC1C5=CN6C7=CC=CC=C7C89C61C(=CN(C53O1)C1=CC=CC=C41)C1CC8[N+](CC9)(CC1=CCO)C)C

*Isomeric Smiles

C/C=C/1C[N+]2(CCC34C2CC1C5=CN6C7=CC=CC=C7C89C61C(=CN(C53O1)C1=CC=CC=C41)C1CC8[N+](CC9)(C/C1=CCO)C)C

*XLogP

2.5

*Hydrogen bond donor

1

*Hydrogen bond acceptor

4

*Rotational Bond Count

1

*Topological Polar Surface Area

35.9

[edit] External Links

Link to BIAdb Database

Retrieved from "http://277988.efsst.group/drugpedia/index.php/BIAdb_C-Alkaloid_G_1678"