P-868628469
- 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 | 65 USD | 98 | 11 working days | Get Quote |
5 mg | 65 USD | 98 | 11 working days | Get Quote |
10 mg | 65 USD | 98 | 11 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-868628469.sdf |
SMILES | P-868628469.smiles |
Standard InChI | P-868628469.inchi |
InChIKey | P-868628469.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-868628469 | Combi-Blocks | Building Block in stock | 98 | in stock |
Property | Value |
---|---|
Components | 3 |
Mass | 718.080 |
logP | 3.9595 |
H-bond acceptors | 16 |
H-bond donors | 6 |
Rotatable bonds | 13 |
PSA | 237.81 |
RO5 violations | 3 |
RO3 violations | 6 |
Refractivity | 178.7196 |
Atoms | 83 |
Rings | 4 |
Heavy atoms | 50 |
Hydrogen atoms | 33 |
Heteroatoms | 18 |
N/O atoms | 16 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
Chiral centers | 1 |
R/S chiral centers | 1 |
Unknown chiral centers | 0 |
Undefined chiral centers | 0 |
Stereo double bonds | 2 |
Cis/trans stereo double bonds | 2 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |