General
Preferred name
Leucomalachite green
Synonyms
P&D ID
PD124020
CAS
129-73-7
Tags
natural product
available
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
1
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
18
Properties
(calculated by RDKit )
Molecular Weight
330.21
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
5
Ring Count
3
Aromatic Ring Count
3
cLogP
5.0
TPSA
6.48
Fraction CSP3
0.22
Chiral centers
0.0
Largest ring
6.0
QED
0.61
Structural alerts
1
anil_di_alk_F(14)
c:1:c:c(:c:c:c:1-[#6;X4]-c:2:c:c:c(:c:c:2)-[#7&H2,$([#7;!H0]-[#6;X4]),$([#7](-[#6X4])-[#6X4])])-[#7&H2,$([#7;!H0]-[#6;X4]),$([#7](-[#6X4])-[#6X4])]
PAINS Family C
Related compounds
Custom attributes
(extracted from source data)
Source data
