MCULE-6152133873-0
- 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 | 70 USD | 90 | 22 working days | Get Quote |
5 mg | 102 USD | 90 | 22 working days | Get Quote |
10 mg | 287 USD | 90 | 18 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.
-
1
MCULE-7080684266-0
- Component type: Main
-
2
MCULE-6647815245-2
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-6152133873-0.sdf |
SMILES | MCULE-6152133873-0.smiles |
Standard InChI | MCULE-6152133873-0.inchi |
InChIKey | MCULE-6152133873-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-4216813 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 9 mg |
P-675517785 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-621188857 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-675352274 | Innovapharm | Screening Compounds | 90 | Main component | in stock |
P-622354054 | Otava | Tangible screening compounds | 90 | Main component | by synthesis |
Property | Value |
---|---|
Components | 3 |
Mass | 567.567 |
logP | 1.0377 |
H-bond acceptors | 14 |
H-bond donors | 5 |
Rotatable bonds | 10 |
PSA | 239.32 |
RO5 violations | 2 |
RO3 violations | 5 |
Refractivity | 146.2404 |
Atoms | 68 |
Rings | 3 |
Heavy atoms | 39 |
Hydrogen atoms | 29 |
Heteroatoms | 15 |
N/O atoms | 14 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |