CHEMBL3265323
CHEMBL3265323
| SMILES | C=CCN1CCC[C@H]1CNC(=O)c1cc(CCCSC2CC(=O)N(CCCCCC(=O)N[C@H](C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCCNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCC[n+]3c(C)cc(/C=C/C=C/c4ccc(N(C)C)cc4)cc3C)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)[C@@H](C)O)[C@@H](C)O)C2=O)cc(OC)c1OC |
| InChIKey | CZDGXTCLWDUEJD-BUMRKTEESA-O |
Chemical Properties
| Hydrogen bond acceptors | 47 |
| Hydrogen bond donors | 40 |
| Rotatable bonds | 109 |
| Molecular weight (Da) | 3519.7 |
Database connections
No bioactivity data available.
CHEMBL3265323
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0