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LOA

LOA
Name:	(3beta,5beta,9beta)-3-(acetyloxy)cholan-24-oic acid
Formula:	C26 H42 O4
SMILES:	O=C(O)CCC(C4C3(C(C2C(C1(CCC(OC(=O)C)CC1CC2)C)CC3)CC4)C)C
InChi:	InChI=1S/C26H42O4/c1-16(5-10-24(28)29)21-8-9-22-20-7-6-18-15-19(30-17(2)27)11-13-25(18,3)23(20)12-14-26(21,22)4/h16,18-23H,5-15H2,1-4H3,(H,28,29)/t16-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1
Synonyms:	Lithocholic acid acetate
Definition date:	2013-02-08
Last modified:	2021-03-01
Release date:	2013-06-26
Identifier:	(3beta,5beta,9beta)-3-(acetyloxy)cholan-24-oic acid

LOC

LOC
Name:	N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide
Formula:	C22 H25 N O6
SMILES:	O=C(NC3C1=CC(=O)C(OC)=CC=C1c2c(cc(OC)c(OC)c2OC)CC3)C
InChi:	InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
Synonyms:	COLCHICINE
Definition date:	2008-08-12
Last modified:	2021-03-01
Identifier:	N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide

LOP

LOP
Name:	(1R)-2-{[(R)-(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(DODECANOYLOXY)METHYL]ETHYL (9Z)-OCTADEC-9-ENOATE
Formula:	C35 H68 N O8 P
SMILES:	O=C(OCC(OC(=O)CCCCCCCC=C/CCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCC
InChi:	InChI=1S/C35H68NO8P/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-35(38)44-33(32-43-45(39,40)42-30-29-36)31-41-34(37)27-25-23-21-19-12-10-8-6-4-2/h15-16,33H,3-14,17-32,36H2,1-2H3,(H,39,40)/b16-15-/t33-/m1/s1
Synonyms:	LAURYL OLEYL PHOSPHATIDYL ETHANOLAMINE
Definition date:	2006-02-09
Last modified:	2021-03-01
Identifier:	(1R)-2-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(dodecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate

7IM

7IM
Name:	N-[(2S)-3-{[(1S)-1-carboxy-2-phenylethyl]amino}-2-methyl-3-oxopropanoyl]-L-threonyl-N-[(3S,4S)-1,3-dihydroxy-6-methylheptan-4-yl]-L-allothreoninamide
Formula:	C29 H46 N4 O10
SMILES:	O=C(NC(CC(C)C)C(O)CCO)C(NC(=O)C(NC(=O)C(C(=O)NC(C(=O)O)Cc1ccccc1)C)C(O)C)C(O)C
InChi:	InChI=1S/C29H46N4O10/c1-15(2)13-20(22(37)11-12-34)30-27(40)23(17(4)35)33-28(41)24(18(5)36)32-26(39)16(3)25(38)31-21(29(42)43)14-19-9-7-6-8-10-19/h6-10,15-18,20-24,34-37H,11-14H2,1-5H3,(H,30,40)(H,31,38)(H,32,39)(H,33,41)(H,42,43)/t16-,17+,18-,20+,21+,22+,23+,24+/m1/s1
Synonyms:	Macyranone-A
Definition date:	2015-02-10
Last modified:	2021-03-01
Release date:	2015-02-18
Identifier:	N-[(2S)-3-{[(1S)-1-carboxy-2-phenylethyl]amino}-2-methyl-3-oxopropanoyl]-L-threonyl-N-[(3S,4S)-1,3-dihydroxy-6-methylheptan-4-yl]-L-allothreoninamide

LPS

LPS
Name:	O-{HYDROXY[((2R)-2-HYDROXY-3-{[(1S)-1-HYDROXYPENTADECYL]OXY}PROPYL)OXY]PHOSPHORYL}-L-SERINE
Formula:	C21 H44 N O9 P
SMILES:	O=C(O)C(N)COP(=O)(OCC(O)COC(O)CCCCCCCCCCCCCC)O
InChi:	InChI=1S/C21H44NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20(24)29-15-18(23)16-30-32(27,28)31-17-19(22)21(25)26/h18-20,23-24H,2-17,22H2,1H3,(H,25,26)(H,27,28)/t18-,19+,20-/m1/s1
Synonyms:	LYSOPHOSPHOTIDYLSERINE
Definition date:	2003-02-21
Last modified:	2021-03-01
Identifier:	O-[(R)-hydroxy{[(2R)-2-hydroxy-3-{[(1R)-1-hydroxypentadecyl]oxy}propyl]oxy}phosphoryl]-L-serine

7JD

7JD
Name:	6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one
Formula:	C14 H9 F N2 O2
SMILES:	Oc1cc(cc2C(=O)NC=Nc12)c3ccc(F)cc3
InChi:	InChI=1S/C14H9FN2O2/c15-10-3-1-8(2-4-10)9-5-11-13(12(18)6-9)16-7-17-14(11)19/h1-7,18H,(H,16,17,19)
Synonyms:	6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one
Definition date:	2016-11-02
Last modified:	2021-03-01
Release date:	2017-11-22
Identifier:	6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one

LPY

LPY
Name:	(2R)-2-hydroxy-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl tridecanoate
Formula:	C22 H43 O12 P
SMILES:	P(OC1C(O)C(O)C(O)C(O)C1O)(O)(=O)OCC(O)COC(=O)CCCCCCCCCCCC
InChi:	InChI=1S/C22H43O12P/c1-2-3-4-5-6-7-8-9-10-11-12-16(24)32-13-15(23)14-33-35(30,31)34-22-20(28)18(26)17(25)19(27)21(22)29/h15,17-23,25-29H,2-14H2,1H3,(H,30,31)/t15-,17-,18-,19+,20-,21-,22-/m1/s1
Synonyms:	sn-1-tridecanoyl-phosphatidylinositol
Definition date:	2015-01-22
Last modified:	2021-03-01
Release date:	2015-07-15
Identifier:	(2R)-2-hydroxy-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl tridecanoate

7JM

7JM
Name:	6-(2-methylpyridin-3-yl)-8-oxidanyl-3~{H}-quinazolin-4-one
Formula:	C14 H11 N3 O2
SMILES:	Cc1ncccc1c2cc(O)c3N=CNC(=O)c3c2
InChi:	InChI=1S/C14H11N3O2/c1-8-10(3-2-4-15-8)9-5-11-13(12(18)6-9)16-7-17-14(11)19/h2-7,18H,1H3,(H,16,17,19)
Synonyms:	8-hydroxy-6-(2-methylpyridin-3-yl)-3H-quinazolin-4-one
Definition date:	2016-11-02
Last modified:	2021-03-01
Release date:	2017-11-22
Identifier:	6-(2-methylpyridin-3-yl)-8-oxidanyl-3~{H}-quinazolin-4-one

7JU

7JU
Name:	7-fluoranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one
Formula:	C14 H8 F2 N2 O2
SMILES:	Oc1c(F)c(cc2C(=O)NC=Nc12)c3ccc(F)cc3
InChi:	InChI=1S/C14H8F2N2O2/c15-8-3-1-7(2-4-8)9-5-10-12(13(19)11(9)16)17-6-18-14(10)20/h1-6,19H,(H,17,18,20)
Synonyms:	7-fluoro-6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one
Definition date:	2016-11-02
Last modified:	2021-03-01
Release date:	2017-11-22
Identifier:	7-fluoranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one

7JV

7JV
Name:	6-[2-(methoxymethyl)phenyl]-8-oxidanyl-1~{H}-quinazolin-4-one
Formula:	C16 H14 N2 O3
SMILES:	COCc1ccccc1c2cc(O)c3NC=NC(=O)c3c2
InChi:	InChI=1S/C16H14N2O3/c1-21-8-10-4-2-3-5-12(10)11-6-13-15(14(19)7-11)17-9-18-16(13)20/h2-7,9,19H,8H2,1H3,(H,17,18,20)
Synonyms:	8-hydroxy-6-[2-(methoxymethyl)phenyl]-3H-quinazolin-4-one
Definition date:	2016-11-02
Last modified:	2021-03-01
Release date:	2017-11-22
Identifier:	6-[2-(methoxymethyl)phenyl]-8-oxidanyl-1~{H}-quinazolin-4-one

LQQ

LQQ
Name:	6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-[(5-PIPERAZIN-1-YLPYRIDIN-2-YL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE
Formula:	C24 H29 N7 O2
SMILES:	O=C2N(c1nc(ncc1C(=C2C(=O)C)C)Nc3ncc(cc3)N4CCNCC4)C5CCCC5
InChi:	InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)
Synonyms:	Palbociclib
Definition date:	2005-11-28
Last modified:	2021-03-01
Identifier:	6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7(8H)-one

LRD

LRD
Name:	2-[(E)-(3-chloro-4-hydroxyphenyl)(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid
Formula:	C19 H12 Cl2 O5 S
SMILES:	ClC3=CC(=C(/c1ccc(O)c(Cl)c1)c2ccccc2S(=O)(=O)O)C=CC3=O
InChi:	InChI=1S/C19H12Cl2O5S/c20-14-9-11(5-7-16(14)22)19(12-6-8-17(23)15(21)10-12)13-3-1-2-4-18(13)27(24,25)26/h1-10,22H,(H,24,25,26)/b19-12+
Synonyms:	Chlorophenol Red
Definition date:	2013-10-23
Last modified:	2021-03-01
Release date:	2013-10-30
Identifier:	2-[(E)-(3-chloro-4-hydroxyphenyl)(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid

LSN

LSN
Name:	[2-butyl-5-chloranyl-3-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol
Formula:	C22 H23 Cl N6 O
SMILES:	CCCCc1nc(Cl)c(CO)n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4
InChi:	InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
Synonyms:	Losartan
Definition date:	2017-02-01
Last modified:	2021-03-01
Release date:	2017-10-25
Identifier:	[2-butyl-5-chloranyl-3-[[4-[2-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol

LSP

LSP
Name:	(7S)-4,7-DIHYDROXY-10-OXO-3,5,9-TRIOXA-4-PHOSPHAUNDECAN-1-AMINIUM 4-OXIDE
Formula:	C7 H17 N O7 P
SMILES:	O=C(OCC(O)COP(=O)(OCC[NH3+])O)C
InChi:	InChI=1S/C7H16NO7P/c1-6(9)13-4-7(10)5-15-16(11,12)14-3-2-8/h7,10H,2-5,8H2,1H3,(H,11,12)/p+1/t7-/m0/s1
Synonyms:	1-ACETYL-2-LYSO-SN-GLYCERO-3-PHOSPHOETHANOLAMINE
Definition date:	2006-02-01
Last modified:	2021-03-01
Identifier:	(4S,7S)-4,7-dihydroxy-10-oxo-3,5,9-trioxa-4-phosphaundecan-1-aminium 4-oxide

LSS

LSS
Name:	5'-O-(L-leucylsulfamoyl)adenosine
Formula:	C16 H25 N7 O7 S
SMILES:	O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)CC(C)C
InChi:	InChI=1S/C16H25N7O7S/c1-7(2)3-8(17)15(26)22-31(27,28)29-4-9-11(24)12(25)16(30-9)23-6-21-10-13(18)19-5-20-14(10)23/h5-9,11-12,16,24-25H,3-4,17H2,1-2H3,(H,22,26)(H2,18,19,20)/t8-,9+,11+,12+,16+/m0/s1
Synonyms:	5-O-N-LEUCYL-SULFAMOYLADENOSINE
Definition date:	2013-01-11
Last modified:	2021-03-01
Release date:	2013-02-22
Identifier:	5'-O-(L-leucylsulfamoyl)adenosine

58O

58O
Name:	6-methoxy-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile
Formula:	C24 H23 F3 N6 O S
SMILES:	c12sc(CC(F)(F)F)cc1c(ncn2)NC3CCN(CC3)Cc4c(cc5c(c4)cc(C#N)n5)OC
InChi:	InChI=1S/C24H23F3N6OS/c1-34-21-9-20-14(7-17(11-28)31-20)6-15(21)12-33-4-2-16(3-5-33)32-22-19-8-18(10-24(25,26)27)35-23(19)30-13-29-22/h6-9,13,16,31H,2-5,10,12H2,1H3,(H,29,30,32)
Synonyms:	MI-336
Definition date:	2015-08-21
Last modified:	2021-03-01
Release date:	2016-03-30
Identifier:	6-methoxy-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile

LT5

LT5
Name:	(1R)-2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
Formula:	C9 H10 F3 N O
SMILES:	FC(F)(F)c1cccc(c1)C(O)CN
InChi:	InChI=1S/C9H10F3NO/c10-9(11,12)7-3-1-2-6(4-7)8(14)5-13/h1-4,8,14H,5,13H2/t8-/m0/s1
Synonyms:	3-Trifluoromethyl phenylethanolamine
Definition date:	2009-05-08
Last modified:	2021-03-01
Identifier:	(1R)-2-amino-1-[3-(trifluoromethyl)phenyl]ethanol

591

591
Name:	(5S)-2-amino-5-(1-ethyl-1H-pyrazol-4-yl)-3-methyl-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one
Formula:	C19 H19 N7 O
SMILES:	O=C4N(C(=NC4(c1cn(nc1)CC)c3cccc(c2cncnc2)c3)N)C
InChi:	InChI=1S/C19H19N7O/c1-3-26-11-16(10-23-26)19(17(27)25(2)18(20)24-19)15-6-4-5-13(7-15)14-8-21-12-22-9-14/h4-12H,3H2,1-2H3,(H2,20,24)/t19-/m0/s1
Synonyms:	WAY-256591
Definition date:	2011-06-03
Last modified:	2021-03-01
Identifier:	(5S)-2-amino-5-(1-ethyl-1H-pyrazol-4-yl)-3-methyl-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one

LTC

LTC
Name:	(2S)-1-({3-O-[2-(acetylamino)-4-amino-2,4,6-trideoxy-beta-D-galactopyranosyl]-alpha-D-glucopyranosyl}oxy)-3-(heptanoyloxy)propan-2-yl (7Z)-pentadec-7-enoate
Formula:	C39 H70 N2 O13
SMILES:	O=C(NC2C(O)C(N)C(OC2OC1C(O)C(OC(OCC(OC(=O)CCCCCC=C/CCCCCCC)COC(=O)CCCCCC)C1O)CO)C)C
InChi:	InChI=1S/C39H70N2O13/c1-5-7-9-11-12-13-14-15-16-17-18-20-22-31(45)52-28(24-49-30(44)21-19-10-8-6-2)25-50-39-36(48)37(34(46)29(23-42)53-39)54-38-33(41-27(4)43)35(47)32(40)26(3)51-38/h14-15,26,28-29,32-39,42,46-48H,5-13,16-25,40H2,1-4H3,(H,41,43)/b15-14-/t26-,28-,29-,32+,33-,34-,35+,36-,37+,38+,39+/m1/s1
Synonyms:	Lipoteichoic acid
Definition date:	2009-09-29
Last modified:	2021-03-01
Identifier:	(2S)-1-({3-O-[2-(acetylamino)-4-amino-2,4,6-trideoxy-beta-D-galactopyranosyl]-alpha-D-glucopyranosyl}oxy)-3-(heptanoyloxy)propan-2-yl (7Z)-pentadec-7-enoate

5A0

5A0
Name:	6-(2,2-difluoroethyl)-4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
Formula:	C17 H21 F2 N5 S2
SMILES:	c12ncnc(c1cc(CC(F)F)s2)N3CCN(CC3)C4=NCC(S4)(C)C
InChi:	InChI=1S/C17H21F2N5S2/c1-17(2)9-20-16(26-17)24-5-3-23(4-6-24)14-12-7-11(8-13(18)19)25-15(12)22-10-21-14/h7,10,13H,3-6,8-9H2,1-2H3
Synonyms:	MI-859
Definition date:	2015-08-28
Last modified:	2021-03-01
Release date:	2015-09-09
Identifier:	6-(2,2-difluoroethyl)-4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine

5A1

5A1
Name:	4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(pentafluoroethyl)thieno[2,3-d]pyrimidine
Formula:	C17 H18 F5 N5 S2
SMILES:	c14c(c(ncn1)N2CCN(CC2)C=3SC(C)(C)CN=3)cc(C(C(F)(F)F)(F)F)s4
InChi:	InChI=1S/C17H18F5N5S2/c1-15(2)8-23-14(29-15)27-5-3-26(4-6-27)12-10-7-11(16(18,19)17(20,21)22)28-13(10)25-9-24-12/h7,9H,3-6,8H2,1-2H3
Synonyms:	MI-273
Definition date:	2015-08-28
Last modified:	2021-03-01
Release date:	2015-09-09
Identifier:	4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(pentafluoroethyl)thieno[2,3-d]pyrimidine

LUF

LUF
Name:	(5S)-4-[(3E,7E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohex-1-en-1-yl)deca-3,7-dien-1-yl]-5-hydroxyfuran-2(5H)-one
Formula:	C25 H38 O3
SMILES:	O=C1OC(O)C(=C1)CC/C=C(C)CCC=C(/C)CCC2=C(C)CCCC2(C)C
InChi:	InChI=1S/C25H38O3/c1-18(11-7-13-21-17-23(26)28-24(21)27)9-6-10-19(2)14-15-22-20(3)12-8-16-25(22,4)5/h10-11,17,24,27H,6-9,12-16H2,1-5H3/b18-11+,19-10+/t24-/m0/s1
Synonyms:	Luffariellolide
Definition date:	2012-02-21
Last modified:	2021-03-01
Release date:	2012-09-28
Identifier:	(5S)-4-[(3E,7E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohex-1-en-1-yl)deca-3,7-dien-1-yl]-5-hydroxyfuran-2(5H)-one

5AA

5AA
Name:	N6-DIMETHYL-3'-AMINO-ADENOSINE-5'-MONOPHOSPHATE
Formula:	C12 H19 N6 O6 P
SMILES:	O=P(O)(O)OCC3OC(n2cnc1c2ncnc1N(C)C)C(O)C3N
InChi:	InChI=1S/C12H19N6O6P/c1-17(2)10-8-11(15-4-14-10)18(5-16-8)12-9(19)7(13)6(24-12)3-23-25(20,21)22/h4-7,9,12,19H,3,13H2,1-2H3,(H2,20,21,22)/t6-,7-,9-,12-/m1/s1
Synonyms:	PUROMYCIN AMINONUCLEOSIDE-5'-MONOPHOSPHATE
Definition date:	2004-12-29
Last modified:	2021-03-01
Identifier:	3'-amino-3'-deoxy-N,N-dimethyladenosine 5'-(dihydrogen phosphate)

5AE

5AE
Name:	4-amino-1-(beta-D-ribofuranosyl)-1,3,5-triazin-2(1H)-one
Formula:	C8 H12 N4 O5
SMILES:	O=C1N=C(N=CN1C2OC(C(O)C2O)CO)N
InChi:	InChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1
Synonyms:	5-azacytidine
Definition date:	2014-05-19
Last modified:	2021-03-01
Release date:	2014-06-25
Identifier:	4-amino-1-(beta-D-ribofuranosyl)-1,3,5-triazin-2(1H)-one

LUR

LUR
Name:	{2-[(2-chloro-6-fluorophenyl)amino]-5-methylphenyl}acetic acid
Formula:	C15 H13 Cl F N O2
SMILES:	Clc2cccc(F)c2Nc1ccc(cc1CC(=O)O)C
InChi:	InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)
Synonyms:	Lumiracoxib
Definition date:	2012-12-26
Last modified:	2021-03-01
Release date:	2013-01-25
Identifier:	{2-[(2-chloro-6-fluorophenyl)amino]-5-methylphenyl}acetic acid

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