Bioactive Compound Details

BioIDbio686
NameCERATINADIN C
ChEMBL IDCHEMBL1210514
Molecular FormulaC14H15Br2N5O4
Molecular Weight477.11
Molecular Weight (Monoisotopic)474.9491
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsCeratinadin C
SmilesN=c1[nH]cc(CCNC(=O)C2=NO[C@]3(C=C(Br)C(=O)[C@@H](Br)[C@@H]3O)C2)[nH]1
InchiInChI=1S/C14H15Br2N5O4/c15-7-3-14(11(23)9(16)10(7)22)4-8(21-25-14)12(24)18-2-1-6-5-19-13(17)20-6/h3,5,9,11,23H,1-2,4H2,(H,18,24)(H3,17,19,20)/t9-,11+,14-/m1/s1
Inchi KeyLDLQYSHMABUOFS-OLUVUFQESA-N
Molecular SpeciesBASE
Targets2.0
Bioactivities2.0
Np Likeness Score1.02
Records Key['3']
Records Name['Ceratinadin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure