BIAdb C-Alkaloid G 1678

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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

Description

Source

N/A

Function

Unknown

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

External Links

Link to BIAdb Database

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