Bioactive Compound Details
| BioID | bio550 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL348204 |
| Molecular Formula | C42H42N4O20 |
| Molecular Weight | 922.81 |
| Molecular Weight (Monoisotopic) | 922.2392 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | 3,4,3-LICAM(C) |
| Smiles | O=C(O)c1ccc(C(=O)NCCCN(CCCCN(CCCNC(=O)c2ccc(C(=O)O)c(O)c2O)C(=O)c2ccc(C(=O)O)c(O)c2O)C(=O)c2ccc(C(=O)O)c(O)c2O)c(O)c1O |
| Inchi | InChI=1S/C42H42N4O20/c47-27-19(5-9-23(31(27)51)39(59)60)35(55)43-13-3-17-45(37(57)21-7-11-25(41(63)64)33(53)29(21)49)15-1-2-16-46(38(58)22-8-12-26(42(65)66)34(54)30(22)50)18-4-14-44-36(56)20-6-10-24(40(61)62)32(52)28(20)48/h5-12,47-54H,1-4,13-18H2,(H,43,55)(H,44,56)(H,59,60)(H,61,62)(H,63,64)(H,65,66) |
| Inchi Key | PXBYUDYZAXZIEA-UHFFFAOYSA-N |
| Molecular Species | ACID |
| Targets | 2.0 |
| Bioactivities | 18.0 |
| Np Likeness Score | -0.27 |
| Records Key | ['3,4,3-LICAM(C)'] |
| Records Name | ['3,4,3-LICAM(C)'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
