| BioID | bio37800 |
|---|
| Name | SEGESTERONE ACETATE |
|---|
| ChEMBL ID | CHEMBL3707377 |
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| Molecular Formula | C23H30O4 |
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| Molecular Weight | 370.49 |
|---|
| Molecular Weight (Monoisotopic) | 370.2144 |
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| Type | Small molecule |
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| Max Phase | Phase 4 |
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| Target ID | Tar8 |
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| Target Name | Mucosal addressin cell adhesion molecule 1 (MADCAM1) |
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| Synonyms | ELCOMETRINE|NESTORONE|SEGESTERONE ACETATE|ST-1435 |
|---|
| Smiles | C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O |
|---|
| Inchi | InChI=1S/C23H30O4/c1-13-11-21-20-7-5-16-12-17(26)6-8-18(16)19(20)9-10-22(21,4)23(13,14(2)24)27-15(3)25/h12,18-21H,1,5-11H2,2-4H3/t18-,19+,20+,21-,22-,23-/m0/s1 |
|---|
| Inchi Key | CKFBRGLGTWAVLG-GOMYTPFNSA-N |
|---|
| Molecular Species | NEUTRAL |
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| Targets | None |
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| Bioactivities | None |
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| Np Likeness Score | 2.17 |
|---|
| Records Key | ['SEGESTERONE ACETATE', 'SEGESTERONE ACETATE', 'SEGESTERONE ACETATE'] |
|---|
| Records Name | ['SEGESTERONE ACETATE', 'SEGESTERONE ACETATE', 'SEGESTERONE ACETATE'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
|---|
