General
Preferred name
cmpd 8a
Synonyms
3-(2-Chloro-3-indolylmethylene)-1,3-dihydroindol-2-one ()
Cdk1 inhibitor ()
GTPL5944 ()
P&D ID
PD038899
CAS
220749-41-7
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
2
CDK inhibitor database (CDKiDB)
LINCS compound set
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
8
Properties
(calculated by RDKit )
Molecular Weight
294.06
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
2
Rotatable Bonds
1
Ring Count
4
Aromatic Ring Count
3
cLogP
4.31
TPSA
44.89
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.65
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
