Search MNXref
 Feedback

SIS3

PropertiesImage
MNX_IDMNXM161072 Image of MNXM161072
referencechebi:87461
formulaC28H28ClN3O3
global charge0
mol weight490.003
InChIKeyCDKIEBFIMCSCBB-CALJPSDSSA-N
InChIInChI=1S/C28H27N3O3.ClH/c1-30-27(19-8-5-4-6-9-19)22(23-10-7-14-29-28(23)30)11-12-26(32)31-15-13-20-16-24(33-2)25(34-3)17-21(20)18-31;/h4-12,14,16-17H,13,15,18H2,1-3H3;1H/b12-11+;
SMILESCOC1=CC2=C(C=C1OC)CN(C(=O)/C=C/C1=C(C3=CC=CC=C3)N(C)C3=C1C=CC=N3)CC2.Cl
MNX internals
InChI (mnx)InChI=1/C28H27N3O3.ClH/c1-30-27(19-8-5-4-6-9-19)22(23-10-7-14-29-28(23)30)11-12-26(32)31-15-13-20-16-24(33-2)25(34-3)17-21(20)18-31;/h4-12,14,16-17H,13,15,18H2,1-3H3;1H/b12-11+; Image of MNXM161072
SMILES (mnx)[CH3:1][N:30]1[C:27]([C:19]2=[CH:8][CH:5]=[CH:4][CH:6]=[CH:9]2)=[C:22](/[CH:11]=[CH:12]/[C:26]([N:31]2[CH2:15][CH2:13][C:20]3=[CH:16][C:24]([O:33][CH3:2])=[C:25]([O:34][CH3:3])[CH:17]=[C:21]3[CH2:18]2)=[O:32])[C:23]2=[C:28]1[N:29]=[CH:14][CH:7]=[CH:10]2.[ClH:35]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:87461
chebi:87461
CDKIEBFIMCSCBB-CALJPSDSSA-N 		SIS3
(2E)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-3-(1-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-en-1-one hydrochloride
(E)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-3-(1-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-en-1-one HCl
specific inhibitor of SMAD3