Bioactive Compound Details

BioIDbio197555
NameBISARYLMALEIMIDE 2
ChEMBL IDCHEMBL178766
Molecular FormulaC27H23N5O5
Molecular Weight497.51
Molecular Weight (Monoisotopic)497.1699
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsBisarylmaleimide 2
SmilesO=C1NC(=O)C(c2cncc3ccoc23)=C1c1cn2c3c(cccc13)CN(C(=O)N1CCOCC1)CC2
InchiInChI=1S/C27H23N5O5/c33-25-21(19-13-28-12-16-4-9-37-24(16)19)22(26(34)29-25)20-15-31-5-6-32(27(35)30-7-10-36-11-8-30)14-17-2-1-3-18(20)23(17)31/h1-4,9,12-13,15H,5-8,10-11,14H2,(H,29,33,34)
Inchi KeyVBTNLJJWTKVDJI-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities5.0
Np Likeness Score-0.48
Records Key['32e', '2, Bisarylmaleimide 2', '2']
Records Name['3-Furo[3,2-c]pyridin-7-yl-4-[2-(morpholine-4-carbonyl)-1,2,3,4-tetrahydro-[1,4]diazepino[6,7,1-hi]indol-7-yl]-pyrrole-2,5-dione', '3-(furo[3,2-c]pyridin-7-yl)-4-(2-(morpholine-4-carbonyl)-1,2,3,4,7,7a-hexahydro-[1,4]diazepino[6,7,1-hi]indol-7-yl)-1H-pyrrole-2,5-dione', 'Bisarylmaleimide 2']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure