Bioactive Compound Details

BioIDbio1767
NameNITROPYRROLIN C
ChEMBL IDCHEMBL1651436
Molecular FormulaC19H29ClN2O3
Molecular Weight368.91
Molecular Weight (Monoisotopic)368.1867
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsNitropyrrolin C
SmilesCC(C)=CCC/C(C)=C/CC[C@@](C)(Cl)[C@H](O)Cc1c[nH]c([N+](=O)[O-])c1
InchiInChI=1S/C19H29ClN2O3/c1-14(2)7-5-8-15(3)9-6-10-19(4,20)17(23)11-16-12-18(21-13-16)22(24)25/h7,9,12-13,17,21,23H,5-6,8,10-11H2,1-4H3/b15-9+/t17-,19-/m1/s1
Inchi KeyLIQXVRBBAVQORU-AXTVGJDGSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score2.15
Records Key['3']
Records Name['nitropyrrolin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure