Bioactive Compound Details
| BioID | bio200518 |
|---|---|
| Name | LACUTOCLAX |
| ChEMBL ID | CHEMBL5314523 |
| Molecular Formula | C48H55ClN8O7S |
| Molecular Weight | 923.54 |
| Molecular Weight (Monoisotopic) | 922.3603 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | LACUTOCLAX |
| Smiles | C[C@@H]1CN(c2cc(N3CCN(CC4=C(c5ccc(Cl)cc5)CC(C)(C)CC4)CC3)ccc2C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c([N+](=O)[O-])c2)c2cc3cc[nH]c3nc2O1 |
| Inchi | InChI=1S/C48H55ClN8O7S/c1-31-29-56(44-24-34-13-17-50-45(34)52-47(44)64-31)42-25-37(55-20-18-54(19-21-55)30-35-12-16-48(2,3)27-40(35)33-4-6-36(49)7-5-33)8-10-39(42)46(58)53-65(61,62)38-9-11-41(43(26-38)57(59)60)51-28-32-14-22-63-23-15-32/h4-11,13,17,24-26,31-32,51H,12,14-16,18-23,27-30H2,1-3H3,(H,50,52)(H,53,58)/t31-/m1/s1 |
| Inchi Key | CCDRQWAEZGRMTP-WJOKGBTCSA-N |
| Molecular Species | ACID |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -0.86 |
| Records Key | ['LACUTOCLAX'] |
| Records Name | ['LACUTOCLAX'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
