CHEBI:129318 - (3R)-N-(1,3-benzodioxol-5-ylmethyl)-2-tert-butylsulfinyl-4-[3-[3-(dimethylamino)prop-1-ynyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

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ChEBI Name (3R)-N-(1,3-benzodioxol-5-ylmethyl)-2-tert-butylsulfinyl-4-[3-[3-(dimethylamino)prop-1-ynyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide ChEBI ID CHEBI:129318 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C33H38N4O5S Net Charge 0 Average Mass 602.746 Monoisotopic Mass 602.25629 InChI InChI=1S/C33H38N4O5S/c1-33(2,3)43(40)37-20-25-18-26(32(39)34-19-23-11-12-28-29(17-23)42-21-41-28)35-31(30(25)27(37)13-15-38)24-10-6-8-22(16-24)9-7-14-36(4)5/h6,8,10-12,16-18,27,38H,13-15,19-21H2,1-5H3,(H,34,39)/t27-,43?/m1/s1 InChIKey AUIPUTFGLWBLIN-GQWSMKGWSA-N SMILES CC(C)(C)S(=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C#CCN(C)C)C(=O)NCC4=CC5=C(C=C4)OCO5 ChEBI Ontology Outgoing (3R)-N-(1,3-benzodioxol-5-ylmethyl)-2-tert-butylsulfinyl-4-[3-[3-(dimethylamino)prop-1-ynyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:129318) is a phenylpyridine (CHEBI:38193) Manual Xref Database LSM-40869 LINCS View more database links