MCULE-5194764394
- 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 | 22 USD | 95 | 20 working days | Get Quote |
| 5 mg | 22 USD | 95 | 20 working days | Get Quote |
| 10 mg | 22 USD | 95 | 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-4503383598
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5194764394.sdf |
| SMILES | MCULE-5194764394.smiles |
| Standard InChI | MCULE-5194764394.inchi |
| InChIKey | MCULE-5194764394.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867660566 | 97 | As is | in stock |
| P-875829269 | N/A | As is | in stock |
| P-869361479 | 95 | As is | in stock |
| P-903204358 | 95 | As is | 5 g |
| P-675222421 | 98 | As is | by resynthesis (? - ? days) |
| P-606940854 | N/A | As is | in stock |
| P-865926398 | 95 | As is | 15 g |
| P-494348961 | 95 | As is | 7.2 g |
| P-889519891 | 95 | As is | by synthesis |
| P-905614137 | 95 | As is | 7.825 g |
| P-893231263 | 95 | As is | in stock |
| P-868644722 | 95 | As is | in stock |
| P-901410608 | 95 | As is | 15 g |
| P-870657745 | N/A | As is | in stock |
| P-502452738 | 95 | As is | by synthesis |
| P-503006881 | 90 | As is | by synthesis |
| P-502669660 | 90 | As is | in stock |
| P-454350028 | 95 | As is | 209 mg |
| P-454416429 | 95 | As is | 5 g |
| P-856090319 | 95 | As is | unavailable |
| P-856014067 | 90 | As is | 500 mg |
| P-852482882 | N/A | As is | in stock |
| P-896629978 | 95 | As is | by synthesis |
| P-854691002 | 95 | As is | in stock |
| P-619673014 | 98 | As is | in stock |
| P-885547118 | 95 | As is | by synthesis |
| P-594274228 | 95 | As is | by synthesis |
| P-869177550 | 95 | As is | in stock |
| P-892295778 | 95 | As is | unavailable |
| P-892338164 | 95 | As is | 199 mg |
| P-502326604 | 90 | As is | in stock |
| P-22454964 | 90 | As is | 1000 mg |
| P-906865966 | 95 | As is | by synthesis |
| P-611511621 | 90 | As is | in stock |
| P-872756918 | 95 | As is | in stock |
| P-886489530 | 95 | As a main component | by synthesis |
| P-1263094743 | N/A | As a main component | by synthesis |
| P-905565548 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 195.172 |
| logP | 0.5975 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 4 |
| PSA | 86.63 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 48.04 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 9 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |

