P-863723225
- InChIKey:
- SMILES:
- InChI:
- Formula:
Amount | Price
![]() Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
![]() Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
---|---|---|---|---|
1 mg | 135 USD | 95 | 14 working days | Get Quote |
5 mg | 135 USD | 95 | 14 working days | Get Quote |
10 mg | 219 USD | 95 | 14 working days | Get Quote |
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
Name | File |
---|---|
SDF | P-863723225.sdf |
SMILES | P-863723225.smiles |
Standard InChI | P-863723225.inchi |
InChIKey | P-863723225.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-863723225 | MedChemExpress | Screening compounds In stock | 95 | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 506.033 |
logP | 6.5305 |
H-bond acceptors | 6 |
H-bond donors | 2 |
Rotatable bonds | 7 |
PSA | 70.75 |
RO5 violations | 2 |
RO3 violations | 5 |
Refractivity | 150.444 |
Atoms | 68 |
Rings | 5 |
Heavy atoms | 36 |
Hydrogen atoms | 32 |
Heteroatoms | 7 |
N/O atoms | 6 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
Chiral centers | 0 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 0 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |