General
Preferred name
COPTISINE
Synonyms
Q-100696 ()
NSC-119754 ()
Coptisin ()
COPTISINE CHLORIDE ()
Coptisine sulfate ()
Coptisine (Sulfate) ()
Coptisine (chloride) ()
Q-100696, NSC-119754 ()
Coptisine ()
P&D ID
PD087526
CAS
6020-18-4
3486-66-6
1198398-71-8
Tags
natural product
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Cell lines
5
Organisms
0
Compound Sets
5
AdooQ Bioactive Compound Library
A14548
Cayman Chemical Bioactives
28424
MedChem Express Bioactive Compound Library
HY-N0736
HY-N0430A
Selleckchem Bioactive Compound Library
coptisine-chloride
TargetMol Bioactive Compound Library
T5S0056
T5S0053
T4S0051
External IDs
38
Properties
(calculated by RDKit )
Molecular Weight
320.09
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
6
Aromatic Ring Count
3
cLogP
2.81
TPSA
40.8
Fraction CSP3
0.21
Chiral centers
0.0
Largest ring
6.0
QED
0.6
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolic Enzyme/Protease
Metabolism
Anti-infection
Target
Indoleamine 2,3-Dioxygenase (IDO)
IDO
Bacterial
Influenza Virus
IDO/TDO
Source data