Bioactive Compound Details

BioIDbio517
NameNEPLANOCIN C
ChEMBL IDCHEMBL512567
Molecular FormulaC11H15N5O4
Molecular Weight281.27
Molecular Weight (Monoisotopic)281.1124
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsNeplanocin C
SmilesNc1ncnc2c1NCN2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)O[C@H]12
InchiInChI=1S/C11H15N5O4/c12-9-4-10(14-2-13-9)16(3-15-4)5-6(18)7(19)11(1-17)8(5)20-11/h2,5-8,15,17-19H,1,3H2,(H2,12,13,14)/t5-,6-,7-,8+,11-/m0/s1
Inchi KeyQCGATMQXOOUIGO-GBSPZJCNSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score1.28
Records Key['Neplanocin C']
Records Name['Neplanocin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure