MCULE-5614190978
- 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 | 138 USD | 90 | 17 working days | Get Quote |
5 mg | 180 USD | 90 | 17 working days | Get Quote |
10 mg | 201 USD | 90 | 17 working days | Get Quote |
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- 1-Click Scaffold Hop Find novel active ligands structurally different from the ligand.
- 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 | MCULE-5614190978.sdf |
SMILES | MCULE-5614190978.smiles |
Standard InChI | MCULE-5614190978.inchi |
InChIKey | MCULE-5614190978.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability | Updated |
---|---|---|---|---|---|---|
P-596220190 | Asinex | General screening catalog | 90 | As is | 86 mg | 1 hour ago |
P-23159737 | TimTec | ActiMol 4 Week | 90 | As is | in stock | April 1, 2014 |
Property | Value |
---|---|
Components | 1 |
Mass | 347.391 |
logP | 2.4278 |
H-bond acceptors | 7 |
H-bond donors | 2 |
Rotatable bonds | 9 |
PSA | 116.6 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 91.9599 |
Atoms | 41 |
Rings | 2 |
Heavy atoms | 24 |
Hydrogen atoms | 17 |
Heteroatoms | 8 |
N/O atoms | 7 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |