1,3-benzodioxol-5-yl-[(3R)-4-[3-(4-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-6-[4-morpholinyl(oxo)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]methanone

Properties Image MNX_ID MNXM177392 reference chebi:130542 formula C34H30FN3O6 global charge 0 mol weight 595.627 InChIKey JCVYOTDVYFHCTF-MUUNZHRXSA-N InChI InChI=1S/C34H30FN3O6/c35-26-7-4-21(5-8-26)22-2-1-3-23(16-22)32-31-25(17-27(36-32)34(41)37-11-14-42-15-12-37)19-38(28(31)10-13-39)33(40)24-6-9-29-30(18-24)44-20-43-29/h1-9,16-18,28,39H,10-15,19-20H2/t28-/m1/s1 SMILES O=C(C1=NC(C2=CC=CC(C3=CC=C(F)C=C3)=C2)=C2C(=C1)CN(C(=O)C1=CC3=C(C=C1)OCO3)[C@@H]2CCO)N1CCOCC1 MNX internals InChI (mnx) InChI=1/C34H30FN3O6/c35-26-7-4-21(5-8-26)22-2-1-3-23(16-22)32-31-25(17-27(36-32)34(41)37-11-14-42-15-12-37)19-38(28(31)10-13-39)33(40)24-6-9-29-30(18-24)44-20-43-29/h1-9,16-18,28,39H,10-15,19-20H2/t28-/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][C:22]([C:21]2=[CH:5][CH:8]=[C:26]([F:35])[CH:7]=[CH:4]2)=[CH:16][C:23]([C:32]2=[C:31]3[C:25](=[CH:17][C:27]([C:34]([N:37]4[CH2:11][CH2:14][O:42][CH2:15][CH2:12]4)=[O:41])=[N:36]2)[CH2:19][N:38]([C:33]([C:24]2=[CH:18][C:30]4=[C:29]([CH:9]=[CH:6]2)[O:43][CH2:20][O:44]4)=[O:40])[C@@H:28]3[CH2:10][CH2:13][OH:39])=[CH:3]1

Parent-child relations graph

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