General
Preferred name
PD156590
Synonyms
3,4-Methylenedioxy-?-Cyclohexylaminopropiophenone (hydrochloride) ()
3,4-Methylenedioxy-?-Cyclohexylaminopropiophenone (hydrochloride) (exempt preparation) ()
P&D ID
PD156590
CAS
2972185-70-7
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
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[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
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[[ compound.targets[tid].gene_name ]]
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free of charge
External IDs
5
Properties
(calculated by RDKit )
Molecular Weight
275.15
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
4
Ring Count
3
Aromatic Ring Count
1
cLogP
2.91
TPSA
47.56
Fraction CSP3
0.56
Chiral centers
1.0
Largest ring
6.0
QED
0.86
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
