compound 39 [PMID: 34982553]
compound 39 [PMID: 34982553]
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| SMILES |
N[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C/C=C\C1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)O)Cc1c2ccccc2ccc1 |
| InChIKey |
VXVNSDXGZQXERO-NXDMJTDOSA-N |
Chemical Properties
| Hydrogen bond acceptors |
13 |
| Hydrogen bond donors |
14 |
| Rotatable bonds |
21 |
| Molecular weight (Da) |
1019.6 |
Bioactivities
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Activity |
Source |
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Gene |
Species |
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Type |
Min |
Avg |
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| Receptor |
Activity |
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| Protein |
Gene |
Species |
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compound 39 [PMID: 34982553]
Image not available
Drug properties
| Molecular type |
Small molecule |
| Physiological/Surrogate |
Surrogate |
| Approved drug |
No |
Clinical Trials
Phase I
0
Phase II
0
Phase III
0
Approved
No
Sankey plot
Compound is not listed as a drug.