IBD Research Resource Center

BioID	bio199599
Name	DEBROMOHYMENIALDISINE
ChEMBL ID	CHEMBL255465
Molecular Formula	C11H11N5O2
Molecular Weight	245.24
Molecular Weight (Monoisotopic)	245.0913
Type	Small molecule
Max Phase	--
Target ID	Tar81
Target Name	None
Synonyms	(Z)-2-Debromohymenialdisine\|Debromohymenialdisine
Smiles	NC1=N/C(=C2/CCNC(=O)c3[nH]ccc32)C(=O)N1
Inchi	InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)/b8-6-
Inchi Key	JYRJOQGKGMHTOO-VURMDHGXSA-N
Molecular Species	NEUTRAL
Targets	85.0
Bioactivities	107.0
Np Likeness Score	1.26
Records Key	['3', '5', '14, debromohymenialdisine', '2', 'K00230, Debromohymenialdisine', '2', 'Debromohymenialdisine', 'K00230', '1, DBH', '3', 'DBQ', '7', '1d; DBH']
Records Name	['4-(2-Amino-5-oxo-3,5-dihydro-imidazol-4-ylidene)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]azepin-8-one', 'Z-debromohymenialdisine', 'debromohymenialdisine', 'debromohymenialdisine', '4-(2-Amino-4-oxo-2-imidazolin-5-ylidene)-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one', '(Z)-2-debromohymenialdisine', '4-[2-Amino-5-oxo-1,5-dihydro-imidazol-(4Z)-ylidene]-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]azepin-8-one', 'K00230', 'Debromohymenialdisine', 'Debromohymenialdisine', '(Z)-4-(2-amino-5-oxo-1H-imidazol-4(5H)-ylidene)-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(1H)-one', '(Z)-Debromohymenialdisine', 'Debromohymenialdisine']
Withdrawn Flag	False
Orphan	-1