IBD Research Resource Center

BioID	bio183761
Name	RONICICLIB
ChEMBL ID	CHEMBL4442620
Molecular Formula	C18H21F3N4O3S
Molecular Weight	430.45
Molecular Weight (Monoisotopic)	430.1286
Type	Small molecule
Max Phase	Phase 2
Target ID	Tar57
Target Name	None
Synonyms	BAY 1000394\|BAY-1000394\|BAY10-00394\|BAY1000394\|RONICICLIB\|Roniciclib
Smiles	C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(S(=N)(=O)C3CC3)cc2)ncc1C(F)(F)F
Inchi	InChI=1S/C18H21F3N4O3S/c1-10(26)11(2)28-16-15(18(19,20)21)9-23-17(25-16)24-12-3-5-13(6-4-12)29(22,27)14-7-8-14/h3-6,9-11,14,22,26H,7-8H2,1-2H3,(H,23,24,25)/t10-,11-,29?/m1/s1
Inchi Key	UELYDGOOJPRWGF-MFOHZAOFSA-N
Molecular Species	NEUTRAL
Targets	20.0
Bioactivities	58.0
Np Likeness Score	-0.85
Records Key	['BAY-1000394', '6; BAY-1000394', 'BAY 1000394', 'RONICICLIB', '28', '20; BAY-1000394', 'BAY-1000394', '6; BAY-1000394', '10; BAY 1000394', '4', '9; BAY-1000394']
Records Name	['Roniciclib', 'Roniciclib', 'Roniciclib', 'RONICICLIB', 'Roniciclib', 'Cyclopropyl(4-((4-(((2R,3R)-3-hydroxybutan-2-yl)oxy)-5-(trifluoromethyl)pyrimidin-2-yl)amino)phenyl)(imino)-l6-sulfanone', '(2R,3R)-3-[2-[4-(cyclopropylsulfonimidoyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]oxybutan-2-ol', 'Roniciclib', 'Roniciclib', 'Roniciclib', 'cyclopropyl(4-((4-(((2R,3R)-3-hydroxybutan-2-yl)oxy)-5-(trifluoromethyl)pyrimidin-2-yl)amino)phenyl)(imino)-lambda6-sulfanone']
Withdrawn Flag	False
Orphan	0