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(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-(pyridin-4-ylmethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

PropertiesImageOccurences in reactions
MNX_IDMNXM172198Image of MNXM172198
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC31H33N5O3S
charge0
mass555.23041
referencechebi:102263
InChIKeyVKWMOKPZZRMWDJ-PDBZVODSSA-N
InChIInChI=1S/C31H33N5O3S/c1-31(2,3)40(39)36-20-25-18-26(30(38)34-19-21-7-12-32-13-8-21)35-29(28(25)27(36)11-16-37)24-6-4-5-23(17-24)22-9-14-33-15-10-22/h4-10,12-15,17-18,27,37H,11,16,19-20H2,1-3H3,(H,34,38)/t27-,40-/m0/s1
SMILESCC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCc3ccncc3)nc(-c3cccc(-c4ccncc4)c3)c2[C@@H]1CCO
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IdentifierDescription
CHEBI:102263
chebi:102263
(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-(pyridin-4-ylmethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide