coelenterazine hcp

Properties Image MNX_ID MNXM1100583 reference metacycM:CPD-20226 formula C25H25N3O2 global charge 0 mol weight 399.494 InChIKey YEGCUOQUFAXCMK-UHFFFAOYSA-N InChI InChI=1S/C25H25N3O2/c29-20-12-10-19(11-13-20)23-16-28-24(21(26-23)14-17-8-4-5-9-17)27-22(25(28)30)15-18-6-2-1-3-7-18/h1-3,6-7,10-13,16-17,26,29H,4-5,8-9,14-15H2 SMILES O=C1C(CC2=CC=CC=C2)=NC2=C(CC3CCCC3)NC(C3=CC=C(O)C=C3)=CN12 MNX internals InChI (mnx) InChI=1/C25H25N3O2/c29-20-12-10-19(11-13-20)23-16-28-24(21(26-23)14-17-8-4-5-9-17)27-22(25(28)30)15-18-6-2-1-3-7-18/h1-3,6-7,10-13,16-17,26,29H,4-5,8-9,14-15H2 SMILES (mnx) [CH:1]1=[CH:2][CH:6]=[C:18]([CH2:15][C:22]2=[N:27][C:24]3=[C:21]([CH2:14][CH:17]4[CH2:8][CH2:4][CH2:5][CH2:9]4)[NH:26][C:23]([C:19]4=[CH:11][CH:13]=[C:20]([OH:29])[CH:12]=[CH:10]4)=[CH:16][N:28]3[C:25]2=[O:30])[CH:7]=[CH:3]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0