[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (CHEBI:100169)

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CHEBI:100169 - [(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

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ChEBI ID	CHEBI:100169
ChEBI Name	[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
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Downloads	Molfile

Formula	C34H36N4O3S
Net Charge	0
Average Mass	580.754
Monoisotopic Mass	580.25081
SMILES	CC(C)(C)[S@](=O)N1Cc2cc(C(=O)N3CCc4ccccc4C3)nc(-c3cccc(-c4cccnc4)c3)c2[C@@H]1CCO
InChI	InChI=1S/C34H36N4O3S/c1-34(2,3)42(41)38-22-28-19-29(33(40)37-16-13-23-8-4-5-9-27(23)21-37)36-32(31(28)30(38)14-17-39)25-11-6-10-24(18-25)26-12-7-15-35-20-26/h4-12,15,18-20,30,39H,13-14,16-17,21-22H2,1-3H3/t30-,42-/m0/s1
InChIKey	MWNPJFSJRUIJTE-MIKJVJEASA-N

ChEBI Ontology

Outgoing Relation(s)
	[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (CHEBI:100169) is a phenylpyridine (CHEBI:38193)

Manual Xrefs	Databases
LSM-11546	LINCS