General
Preferred name
GITOFORMATE
Synonyms
P&D ID
PD072136
CAS
10176-39-3
Tags
natural product
drug
Drug Status
approved
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 ]]
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
9
Properties
(calculated by RDKit )
Molecular Weight
920.4
Hydrogen Bond Acceptors
19
Hydrogen Bond Donors
1
Rotatable Bonds
17
Ring Count
8
Aromatic Ring Count
0
cLogP
3.12
TPSA
233.41
Fraction CSP3
0.83
Chiral centers
21.0
Largest ring
6.0
QED
0.1
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
