General
Preferred name
Carbazochrome sodium sulfonate(AC-17)
Synonyms
P&D ID
PD034215
CAS
51460-26-5
Tags
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
AdooQ Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
14
Properties
(calculated by RDKit )
Molecular Weight
300.05
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
3
Rotatable Bonds
2
Ring Count
2
Aromatic Ring Count
0
cLogP
-1.05
TPSA
142.16
Fraction CSP3
0.3
Chiral centers
1.0
Largest ring
6.0
QED
0.34
Structural alerts
2
quinone_D(2)
[#6]-1(-[#6]=,:[#6]-[#6]=,:[#6]-[#6]-1=[!#6&!#1])=[!#6&!#1]
PAINS Family C
imine_one_A(321)
[#6]-[#6](=[!#6&!#1;!R])-[#6](=[!#6&!#1;!R])-[$([#6]),$([#16](=[#8])=[#8])]
PAINS Family A
Related compounds
Custom attributes
(extracted from source data)
Source data
