(Q72460849)

English

(3R,5R,6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

7-(2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoic acid

1 reference

based on heuristic

inferred from InChIKey

mass

421.1689364679999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

(3S,5S,6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3S,5R,6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoic acid

2 references

based on heuristic

inferred from InChIKey

1 reference

C₂₅H₂₄FNO₄

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canonical SMILES

O=C(O)CC(O)CC(O)C=Cc1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C1CC1C2=NC3=CC=CC=C3C(=C2/C=C/[C@@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F

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Identifiers

InChI

InChI=1S/C25H24FNO4/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31)/b12-11+/t18-,19+/m0/s1

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InChIKey

VGYFMXBACGZSIL-FUTHQCHMSA-N

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0 references

2 references

26 December 2021

matched by identifier from

InChIKey

VGYFMXBACGZSIL-FUTHQCHMSA-N

1 reference

1 reference

matched by identifier from

InChIKey

VGYFMXBACGZSIL-FUTHQCHMSA-N

DSSTOX compound identifier

DTXCID30382563

0 references

(Q72460849)

(3R,5R,6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoic acid

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