MCULE-4777104073
- 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 | 109 USD | 90 | 20 working days | Get Quote |
5 mg | 109 USD | 90 | 20 working days | Get Quote |
10 mg | 109 USD | 90 | 20 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-6540647325
- Component type: Main
-
MCULE-5425153534
- Component type: Main
-
MCULE-6916759828
- Component type: Main
-
MCULE-5007570321
- Component type: Main
-
MCULE-2744209602
- Component type: Main
-
MCULE-3821378926
- Component type: Main
-
MCULE-3723925647
- Component type: Main
-
MCULE-1559869870
- Component type: Main
-
MCULE-3285200242
- Component type: Main
-
MCULE-9307161255
- Component type: Main
Name | File |
---|---|
SDF | MCULE-4777104073.sdf |
SMILES | MCULE-4777104073.smiles |
Standard InChI | MCULE-4777104073.inchi |
InChIKey | MCULE-4777104073.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-580377102 | Debye Scientific | General Catalog | N/A | As a main component | by resynthesis (? - ? days) |
P-856040591 | LaboTest | Building Blocks | 90 | As a main component | 2 g |
P-31273618 | LaboTest | Screening Collection | 90 | As a main component | 2 g |
Property | Value |
---|---|
Components | 1 |
Mass | 214.410 |
logP | 3.4906 |
H-bond acceptors | 1 |
H-bond donors | 1 |
Rotatable bonds | 12 |
PSA | 16.61 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 73.4714 |
Atoms | 47 |
Rings | 0 |
Heavy atoms | 15 |
Hydrogen atoms | 32 |
Heteroatoms | 1 |
N/O atoms | 1 |
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 |