IBD Research Resource Center

BioID	bio98627
Name	GESTODENE
ChEMBL ID	CHEMBL1213583
Molecular Formula	C21H26O2
Molecular Weight	310.44
Molecular Weight (Monoisotopic)	310.1933
Type	Small molecule
Max Phase	Phase 3
Target ID	Tar80
Target Name	None
Synonyms	GESTODENE\|GESTODENO\|SH B 331\|SH-B-331
Smiles	C#C[C@]1(O)C=C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC
Inchi	InChI=1S/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1
Inchi Key	SIGSPDASOTUPFS-XUDSTZEESA-N
Molecular Species	NEUTRAL
Targets	55.0
Bioactivities	86.0
Np Likeness Score	1.84
Records Key	['Gestodene', 'SID170466131', 'Gestodene', 'Gestodene', 'Gestodene', 'GESTODENE', 'Gestodene', 'GESTODENE', 'COVC-3899188717', 'Gestodene', 'Gestodene', 'SID144205785', 'Gestodene脢', 'Gestodene', 'Gestodene', 'Gestodene', 'gestodene', 'GESTODENE', 'Gestodene脗', 'Gestodene', 'gestodene']
Records Name	['Gestodene', 'SID170466131', 'Gestodene', 'Gestodene', 'Gestodene', 'GESTODENE', 'Gestodene', 'GESTODENE', 'GESTODENE', 'Gestodene', 'Gestodene', 'SID144205785', 'Gestodene脢', 'Gestodene', 'Gestodene', 'Gestodene', 'gestodene', 'GESTODENE', 'Gestodene脗', 'Gestodene', 'gestodene']
Withdrawn Flag	False
Orphan	0