General
Preferred name
Maculosin
Synonyms
cyclo(L-Pro-L-Tyr) ()
(3s,8ar)-3-(4-Hydroxybenzyl)Hexahydropyrrolo[1,2-a]Pyrazine-1,4-Dione ()
Cyclo(Tyr-Pro) ()
P&D ID
PD006034
CAS
4549-02-4
Tags
drug candidate
natural product
available
Drug Status
experimental
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Cell lines
0
Organisms
1
Compound Sets
4
Cayman Chemical Bioactives
25019
DrugBank
DB04520
MedChem Express Bioactive Compound Library
HY-P1940
TargetMol Bioactive Compound Library
TP2333
External IDs
22
Properties
(calculated by RDKit )
Molecular Weight
260.12
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
3
Aromatic Ring Count
1
cLogP
0.42
TPSA
69.64
Fraction CSP3
0.43
Chiral centers
2.0
Largest ring
6.0
QED
0.81
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data