MCULE-3169739755-0
- 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 | 43 USD | 98 | 19 working days | Get Quote |
5 mg | 43 USD | 98 | 19 working days | Get Quote |
10 mg | 43 USD | 98 | 19 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.
-
MCULE-4174596049-0
- Component type: Counter Ion
-
MCULE-8502674332-0
- Component type: Counter Ion
-
MCULE-2668576231-0
- Component type: Counter Ion
-
MCULE-1696065966-0
- Component type: Counter Ion
-
MCULE-5448832546-0
- Component type: Counter Ion
-
MCULE-4314858334-0
- Component type: Counter Ion
-
MCULE-6561609003-0
- Component type: Counter Ion
-
MCULE-5201978363-0
- Component type: Counter Ion
-
MCULE-2844428654-0
- Component type: Counter Ion
-
MCULE-1217077623-0
- Component type: Counter Ion
-
MCULE-7835381423-0
- Component type: Counter Ion
-
MCULE-5830868456-0
- Component type: Counter Ion
-
MCULE-4901169160-0
- Component type: Counter Ion
-
MCULE-4947497934-0
- Component type: Counter Ion
-
MCULE-6686876253-0
- Component type: Counter Ion
-
MCULE-7915600712-0
- Component type: Counter Ion
-
MCULE-5034740002-0
- Component type: Counter Ion
-
MCULE-9352670126-0
- Component type: Unknown
-
MCULE-7315004275-0
- Component type: Counter Ion
-
MCULE-8737417912-0
- Component type: Counter Ion
-
MCULE-5971825603-0
- Component type: Counter Ion
-
MCULE-1233194977-0
- Component type: Counter Ion
-
MCULE-5807049826-0
- Component type: Counter Ion
-
MCULE-6867351516-0
- Component type: Counter Ion
-
MCULE-4775878719-0
- Component type: Counter Ion
-
MCULE-4650856588-0
- Component type: Counter Ion
-
MCULE-9983736231-0
- Component type: Counter Ion
-
MCULE-6252546399-0
- Component type: Counter Ion
-
MCULE-2702100882-1
- Component type: Counter Ion
-
MCULE-6249862699-0
- Component type: Counter Ion
-
MCULE-8536104776-0
- Component type: Counter Ion
-
MCULE-8712188120-0
- Component type: Counter Ion
-
MCULE-1390268824-0
- Component type: Counter Ion
-
MCULE-6107180217-0
- Component type: Counter Ion
-
MCULE-2072534314-0
- Component type: Counter Ion
-
MCULE-6980491809-0
- Component type: Counter Ion
-
MCULE-9421660522-0
- Component type: Counter Ion
-
MCULE-2369820693-0
- Component type: Counter Ion
-
MCULE-7233589383-0
- Component type: Counter Ion
-
MCULE-1407320601-0
- Component type: Counter Ion
-
MCULE-8890614455-0
- Component type: Counter Ion
-
MCULE-4295216805-0
- Component type: Counter Ion
-
MCULE-7300342577-0
- Component type: Counter Ion
-
MCULE-9296822151-0
- Component type: Counter Ion
-
MCULE-9400037736-0
- Component type: Counter Ion
-
MCULE-7605401972-0
- Component type: Counter Ion
-
MCULE-4597242748-0
- Component type: Counter Ion
-
MCULE-5884826037-0
- Component type: Counter Ion
-
MCULE-3520747401-0
- Component type: Counter Ion
-
MCULE-4250717713-0
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-3169739755-0.sdf |
SMILES | MCULE-3169739755-0.smiles |
Standard InChI | MCULE-3169739755-0.inchi |
InChIKey | MCULE-3169739755-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-505354594 | AK Scientific | Building Blocks | 98 | As a component | in stock |
P-489197710 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As a component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 157.169 |
logP | 1.6715 |
H-bond acceptors | 3 |
H-bond donors | 0 |
Rotatable bonds | 1 |
PSA | 65.58 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 34.4494 |
Atoms | 15 |
Rings | 1 |
Heavy atoms | 10 |
Hydrogen atoms | 5 |
Heteroatoms | 4 |
N/O atoms | 3 |
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 |