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7BB

7BB
Name:	trans-4-({[(E)-1-amino-2-sulfanylethenyl](4-carboxybutyl)carbamoyl}oxy)cyclohexanecarboxylic acid
Formula:	C15 H24 N2 O6 S
SMILES:	O=C(OC1CCC(C(=O)O)CC1)N(C(=CS)N)CCCCC(=O)O
InChi:	InChI=1S/C15H24N2O6S/c16-12(9-24)17(8-2-1-3-13(18)19)15(22)23-11-6-4-10(5-7-11)14(20)21/h9-11,24H,1-8,16H2,(H,18,19)(H,20,21)/b12-9+/t10-,11-
Definition date:	2012-01-04
Last modified:	2023-11-03
Identifier:	trans-4-({[(E)-1-amino-2-sulfanylethenyl](4-carboxybutyl)carbamoyl}oxy)cyclohexanecarboxylic acid

KZV

KZV
Name:	{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(3-fluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}ace tic acid
Formula:	C14 H14 F N3 O4 S
SMILES:	NC(CS)C=1N(CC(=O)O)C(=O)C(N=1)=[C@H]c2cc(F)c(cc2)O
InChi:	InChI=1S/C14H14FN3O4S/c15-8-3-7(1-2-11(8)19)4-10-14(22)18(5-12(20)21)13(17-10)9(16)6-23/h1-4,9,19,23H,5-6,16H2,(H,20,21)/t9-/m0/s1
Synonyms:	CHROMOPHORE (CYS-TYR-GLY)-3F
Definition date:	2019-01-28
Last modified:	2023-11-03
Release date:	2019-06-12
Identifier:	{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(3-fluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

KZX

KZX
Name:	2-(3-fluorophenyl)-N-(4-methylpyridin-3-yl)acetamide
Formula:	C14 H13 F N2 O
SMILES:	O=C(Nc1cnccc1C)Cc1cccc(F)c1
InChi:	InChI=1S/C14H13FN2O/c1-10-5-6-16-9-13(10)17-14(18)8-11-3-2-4-12(15)7-11/h2-7,9H,8H2,1H3,(H,17,18)
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-fluorophenyl)-N-(4-methylpyridin-3-yl)acetamide

KZY

KZY
Name:	{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:	C15 H17 N3 O4 S
SMILES:	NC(CS)C1=N/C(C(N1CC(=O)O)=O)=Cc2cc(c(cc2)O)C
InChi:	InChI=1S/C15H17N3O4S/c1-8-4-9(2-3-12(8)19)5-11-15(22)18(6-13(20)21)14(17-11)10(16)7-23/h2-5,10,19,23H,6-7,16H2,1H3,(H,20,21)/b11-5-/t10-/m0/s1
Synonyms:	CHROMOPHORE (CYS-TYR-GLY)3-CH3
Definition date:	2019-01-28
Last modified:	2023-11-03
Release date:	2019-06-12
Identifier:	{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

L1F

L1F
Name:	N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-oxo-1,2-dihydroquinoline-4-carboxamide
Formula:	C20 H20 N2 O4
SMILES:	COc1ccccc1OCCN(C)C(=O)C1=CC(=O)Nc2ccccc21
InChi:	InChI=1S/C20H20N2O4/c1-22(11-12-26-18-10-6-5-9-17(18)25-2)20(24)15-13-19(23)21-16-8-4-3-7-14(15)16/h3-10,13H,11-12H2,1-2H3,(H,21,23)
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-oxo-1,2-dihydroquinoline-4-carboxamide

L2I

L2I
Name:	(2S)-4-(methylamino)-2-phenyl-N-(pyridin-3-yl)butanamide
Formula:	C16 H19 N3 O
SMILES:	O=C(Nc1cccnc1)C(CCNC)c1ccccc1
InChi:	InChI=1S/C16H19N3O/c1-17-11-9-15(13-6-3-2-4-7-13)16(20)19-14-8-5-10-18-12-14/h2-8,10,12,15,17H,9,11H2,1H3,(H,19,20)/t15-/m0/s1
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2S)-4-(methylamino)-2-phenyl-N-(pyridin-3-yl)butanamide

L3I

L3I
Name:	2-(3-chlorophenyl)-2-methyl-N-(4-methylpyridin-3-yl)propanamide
Formula:	C16 H17 Cl N2 O
SMILES:	O=C(Nc1cnccc1C)C(C)(C)c1cccc(Cl)c1
InChi:	InChI=1S/C16H17ClN2O/c1-11-7-8-18-10-14(11)19-15(20)16(2,3)12-5-4-6-13(17)9-12/h4-10H,1-3H3,(H,19,20)
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-chlorophenyl)-2-methyl-N-(4-methylpyridin-3-yl)propanamide

L3R

L3R
Name:	(2~{S},3~{R},4~{R},5~{S},6~{R})-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methyl-phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
Formula:	C24 H25 F O5 S
SMILES:	Cc1ccc(cc1Cc2sc(cc2)c3ccc(F)cc3)[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O
InChi:	InChI=1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1
Synonyms:	Canagliflozin
Definition date:	2022-11-09
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2~{S},3~{R},4~{R},5~{S},6~{R})-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methyl-phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

L4N

L4N
Name:	(5R)-N-(4-methylpyridin-3-yl)spiro[2.4]heptane-5-carboxamide
Formula:	C14 H18 N2 O
SMILES:	O=C(Nc1cnccc1C)C1CCC2(CC2)C1
InChi:	InChI=1S/C14H18N2O/c1-10-3-7-15-9-12(10)16-13(17)11-2-4-14(8-11)5-6-14/h3,7,9,11H,2,4-6,8H2,1H3,(H,16,17)/t11-/m1/s1
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(5R)-N-(4-methylpyridin-3-yl)spiro[2.4]heptane-5-carboxamide

L4R

L4R
Name:	Fmoc-(R)-2-(7-octenyl)alanine
Formula:	C11 H21 N O2
SMILES:	C[C](N)(CCCCCCC=C)C(O)=O
InChi:	InChI=1S/C11H21NO2/c1-3-4-5-6-7-8-9-11(2,12)10(13)14/h3H,1,4-9,12H2,2H3,(H,13,14)/t11-/m1/s1
Definition date:	2022-06-16
Last modified:	2023-11-03
Release date:	2022-07-20
Identifier:	(2~{R})-2-azanyl-2-methyl-dec-9-enoic acid

L4U

L4U
Name:	(3S)-3,4-dimethyl-N-(4-methylpyridin-3-yl)pentanamide
Formula:	C13 H20 N2 O
SMILES:	O=C(Nc1cnccc1C)CC(C)C(C)C
InChi:	InChI=1S/C13H20N2O/c1-9(2)11(4)7-13(16)15-12-8-14-6-5-10(12)3/h5-6,8-9,11H,7H2,1-4H3,(H,15,16)/t11-/m0/s1
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(3S)-3,4-dimethyl-N-(4-methylpyridin-3-yl)pentanamide

L5I

L5I
Name:	(2R)-3-cyclopropyl-2-methyl-N-(4-methylpyridin-3-yl)propanamide
Formula:	C13 H18 N2 O
SMILES:	O=C(Nc1cnccc1C)C(C)CC1CC1
InChi:	InChI=1S/C13H18N2O/c1-9-5-6-14-8-12(9)15-13(16)10(2)7-11-3-4-11/h5-6,8,10-11H,3-4,7H2,1-2H3,(H,15,16)/t10-/m1/s1
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2R)-3-cyclopropyl-2-methyl-N-(4-methylpyridin-3-yl)propanamide

7VU

7VU
Name:	(2S)-2-(ethylamino)-3-(4-methylphenyl)propanoic acid
Formula:	C12 H17 N O2
SMILES:	CCN[CH](Cc1ccc(C)cc1)C(O)=O
InChi:	InChI=1S/C12H17NO2/c1-3-13-11(12(14)15)8-10-6-4-9(2)5-7-10/h4-7,11,13H,3,8H2,1-2H3,(H,14,15)/t11-/m0/s1
Definition date:	2021-10-29
Last modified:	2023-11-03
Release date:	2023-07-26
Identifier:	(2~{S})-2-(ethylamino)-3-(4-methylphenyl)propanoic acid

L6D

L6D
Name:	N-(1H-benzimidazol-1-yl)-2-(3-chlorophenyl)acetamide
Formula:	C15 H12 Cl N3 O
SMILES:	Clc1cccc(c1)CC(=O)Nn1cnc2ccccc21
InChi:	InChI=1S/C15H12ClN3O/c16-12-5-3-4-11(8-12)9-15(20)18-19-10-17-13-6-1-2-7-14(13)19/h1-8,10H,9H2,(H,18,20)
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-(1H-benzimidazol-1-yl)-2-(3-chlorophenyl)acetamide

7W2

7W2
Name:	(2S)-2-azanyl-4-[3,5-bis(fluoranyl)-4-(trifluoromethyl)phenyl]butanoic acid
Formula:	C11 H10 F5 N O2
SMILES:	N[CH](CCc1cc(F)c(c(F)c1)C(F)(F)F)C(O)=O
InChi:	InChI=1S/C11H10F5NO2/c12-6-3-5(1-2-8(17)10(18)19)4-7(13)9(6)11(14,15)16/h3-4,8H,1-2,17H2,(H,18,19)/t8-/m0/s1
Definition date:	2021-10-29
Last modified:	2023-11-03
Release date:	2023-07-26
Identifier:	(2~{S})-2-azanyl-4-[3,5-bis(fluoranyl)-4-(trifluoromethyl)phenyl]butanoic acid

L6R

L6R
Name:	(2R)-2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)pentanamide
Formula:	C17 H19 Cl N2 O
SMILES:	O=C(Nc1cnccc1C)C(CCC)c1cccc(Cl)c1
InChi:	InChI=1S/C17H19ClN2O/c1-3-5-15(13-6-4-7-14(18)10-13)17(21)20-16-11-19-9-8-12(16)2/h4,6-11,15H,3,5H2,1-2H3,(H,20,21)/t15-/m1/s1
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2R)-2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)pentanamide

7WJ

7WJ
Name:	(2S)-2-amino-4-[([1~2~,2~2~:2~6~,3~2~-terpyridine]-2~4~-carbonyl)amino]butanoic acid
Formula:	C20 H19 N5 O3
SMILES:	C(=O)(O)C(CCNC(c2cc(c1ncccc1)nc(c2)c3ccccn3)=O)N
InChi:	InChI=1S/C20H19N5O3/c21-14(20(27)28)7-10-24-19(26)13-11-17(15-5-1-3-8-22-15)25-18(12-13)16-6-2-4-9-23-16/h1-6,8-9,11-12,14H,7,10,21H2,(H,24,26)(H,27,28)/t14-/m0/s1
Definition date:	2016-12-08
Last modified:	2023-11-03
Release date:	2017-02-22
Identifier:	(2S)-2-amino-4-[([1~2~,2~2~:2~6~,3~2~-terpyridine]-2~4~-carbonyl)amino]butanoic acid

L7F

L7F
Name:	2-[(1S,5R)-bicyclo[3.1.0]hexan-1-yl]-N-(4-methylpyridin-3-yl)acetamide
Formula:	C14 H18 N2 O
SMILES:	O=C(Nc1cnccc1C)CC12CC2CCC1
InChi:	InChI=1S/C14H18N2O/c1-10-4-6-15-9-12(10)16-13(17)8-14-5-2-3-11(14)7-14/h4,6,9,11H,2-3,5,7-8H2,1H3,(H,16,17)/t11-,14+/m1/s1
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-[(1S,5R)-bicyclo[3.1.0]hexan-1-yl]-N-(4-methylpyridin-3-yl)acetamide

L7Q

L7Q
Name:	3-methyl-N-(4-methylpyridin-3-yl)-3-phenylbutanamide
Formula:	C17 H20 N2 O
SMILES:	O=C(Nc1cnccc1C)CC(C)(C)c1ccccc1
InChi:	InChI=1S/C17H20N2O/c1-13-9-10-18-12-15(13)19-16(20)11-17(2,3)14-7-5-4-6-8-14/h4-10,12H,11H2,1-3H3,(H,19,20)
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	3-methyl-N-(4-methylpyridin-3-yl)-3-phenylbutanamide

L7V

L7V
Name:	1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(pyridin-3-yl)ethan-1-one
Formula:	C16 H18 N4 O2
SMILES:	O=C(Cc1cccnc1)N1CCCC1c1nc(on1)C1CC1
InChi:	InChI=1S/C16H18N4O2/c21-14(9-11-3-1-7-17-10-11)20-8-2-4-13(20)15-18-16(22-19-15)12-5-6-12/h1,3,7,10,12-13H,2,4-6,8-9H2/t13-/m0/s1
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(pyridin-3-yl)ethan-1-one

7XC

7XC
Name:	(2R)-2-azanyl-3-(4-carbamimidamidophenyl)propanoic acid
Formula:	C10 H14 N4 O2
SMILES:	N[CH](Cc1ccc(NC(N)=N)cc1)C(O)=O
InChi:	InChI=1S/C10H14N4O2/c11-8(9(15)16)5-6-1-3-7(4-2-6)14-10(12)13/h1-4,8H,5,11H2,(H,15,16)(H4,12,13,14)/t8-/m1/s1
Definition date:	2017-02-02
Last modified:	2023-11-03
Release date:	2018-07-11
Identifier:	(2~{R})-2-azanyl-3-(4-carbamimidamidophenyl)propanoic acid

L83

L83
Name:	N-(2-amino-4-methylpyridin-3-yl)-2-(3-chlorophenyl)acetamide
Formula:	C14 H14 Cl N3 O
SMILES:	Nc1nccc(C)c1NC(=O)Cc1cccc(Cl)c1
InChi:	InChI=1S/C14H14ClN3O/c1-9-5-6-17-14(16)13(9)18-12(19)8-10-3-2-4-11(15)7-10/h2-7H,8H2,1H3,(H2,16,17)(H,18,19)
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-(2-amino-4-methylpyridin-3-yl)-2-(3-chlorophenyl)acetamide

L8F

L8F
Name:	N-(2-{7-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-3-yl}ethyl)acetamide
Formula:	C19 H26 N4 O2
SMILES:	CC(=O)NCCc1c[NH]c2c(CN3CCN(CC3)C(C)=O)cccc21
InChi:	InChI=1S/C19H26N4O2/c1-14(24)20-7-6-16-12-21-19-17(4-3-5-18(16)19)13-22-8-10-23(11-9-22)15(2)25/h3-5,12,21H,6-11,13H2,1-2H3,(H,20,24)
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-(2-{7-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-3-yl}ethyl)acetamide

L8O

L8O
Name:	1-[(4R)-4-(3-methylphenyl)-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one
Formula:	C18 H19 N O
SMILES:	Cc1cccc(c1)C1CN(Cc2ccccc21)C(C)=O
InChi:	InChI=1S/C18H19NO/c1-13-6-5-8-15(10-13)18-12-19(14(2)20)11-16-7-3-4-9-17(16)18/h3-10,18H,11-12H2,1-2H3/t18-/m1/s1
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	1-[(4R)-4-(3-methylphenyl)-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one

L93

L93
Name:	6-fluoro-N-[(2R)-2-(2-methoxyphenoxy)propyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
Formula:	C20 H19 F N2 O4
SMILES:	COc1ccccc1OC(C)CNC(=O)C1=CC(=O)Nc2ccc(F)cc21
InChi:	InChI=1S/C20H19FN2O4/c1-12(27-18-6-4-3-5-17(18)26-2)11-22-20(25)15-10-19(24)23-16-8-7-13(21)9-14(15)16/h3-10,12H,11H2,1-2H3,(H,22,25)(H,23,24)/t12-/m1/s1
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	6-fluoro-N-[(2R)-2-(2-methoxyphenoxy)propyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide

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