Bioactive Compound Details
| BioID | bio375 |
|---|---|
| Name | PENITREM C |
| ChEMBL ID | CHEMBL2272679 |
| Molecular Formula | C37H44ClNO4 |
| Molecular Weight | 602.22 |
| Molecular Weight (Monoisotopic) | 601.2959 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | None |
| Smiles | C=C1Cc2c(Cl)cc3[nH]c4c5c3c2[C@H]2[C@@H]1C[C@@H]2C(C)(C)O[C@H]5[C@@H]1CC[C@@]2(O)C3=C[C@@H](O)[C@@H](C(=C)C)O[C@H]3CC[C@]2(C)[C@@]41C |
| Inchi | InChI=1S/C37H44ClNO4/c1-16(2)31-25(40)14-21-26(42-31)9-10-35(6)36(7)20(8-11-37(21,35)41)32-30-29-24(39-33(30)36)15-23(38)19-12-17(3)18-13-22(27(18)28(19)29)34(4,5)43-32/h14-15,18,20,22,25-27,31-32,39-41H,1,3,8-13H2,2,4-7H3/t18-,20+,22+,25-,26+,27+,31-,32+,35-,36-,37-/m1/s1 |
| Inchi Key | BVVRIERIEDMORG-UWOVGSIKSA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 8.0 |
| Np Likeness Score | 2.46 |
| Records Key | ['3', '11'] |
| Records Name | ['Penitrem C', 'Penitrem C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
