[(3aR,4R,9bR)-8-[2-(4-fluorophenyl)ethynyl]-5-methyl-1-(2-methylphenyl)sulfonyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol (CHEBI:126288)

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CHEBI:126288 - [(3aR,4R,9bR)-8-[2-(4-fluorophenyl)ethynyl]-5-methyl-1-(2-methylphenyl)sulfonyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol

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ChEBI ID	CHEBI:126288
ChEBI Name	[(3aR,4R,9bR)-8-[2-(4-fluorophenyl)ethynyl]-5-methyl-1-(2-methylphenyl)sulfonyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol
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Formula	C28H27FN2O3S
Net Charge	0
Average Mass	490.600
Monoisotopic Mass	490.17264
SMILES	Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H](CO)N(C)c3ccc(C#Cc4ccc(F)cc4)cc3[C@@H]21
InChI	InChI=1S/C28H27FN2O3S/c1-19-5-3-4-6-27(19)35(33,34)31-16-15-23-26(18-32)30(2)25-14-11-21(17-24(25)28(23)31)8-7-20-9-12-22(29)13-10-20/h3-6,9-14,17,23,26,28,32H,15-16,18H2,1-2H3/t23-,26+,28-/m1/s1
InChIKey	SUJHWCYTYCTFEA-RXWNPYQGSA-N

ChEBI Ontology

Outgoing Relation(s)
	[(3aR,4R,9bR)-8-[2-(4-fluorophenyl)ethynyl]-5-methyl-1-(2-methylphenyl)sulfonyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol (CHEBI:126288) is a pyrroloquinoline (CHEBI:50918)

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LSM-37854	LINCS