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GFS

GFS
Name:	2-[(2S,3R)-2,3-dihydro[2,3'-bi-1-benzothiophene]-3-carbonyl]benzoic acid
Formula:	C24 H16 O3 S2
SMILES:	O=C(O)c1ccccc1C(=O)C1c2ccccc2SC1c1csc2ccccc21
InChi:	InChI=1S/C24H16O3S2/c25-22(15-8-1-2-9-16(15)24(26)27)21-17-10-4-6-12-20(17)29-23(21)18-13-28-19-11-5-3-7-14(18)19/h1-13,21,23H,(H,26,27)/t21-,23-/m1/s1
Definition date:	2023-04-27
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	2-[(2S,3R)-2,3-dihydro[2,3'-bi-1-benzothiophene]-3-carbonyl]benzoic acid

T6I

T6I
Name:	(2R,3S)-3-[[(2S)-2-fluoranyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid
Formula:	C23 H26 F N O3
SMILES:	C[CH]([CH](NC(=O)[CH](F)c1ccc2CCCCc2c1)c3ccc(C)cc3)C(O)=O
InChi:	InChI=1S/C23H26FNO3/c1-14-7-9-17(10-8-14)21(15(2)23(27)28)25-22(26)20(24)19-12-11-16-5-3-4-6-18(16)13-19/h7-13,15,20-21H,3-6H2,1-2H3,(H,25,26)(H,27,28)/t15-,20+,21+/m1/s1
Definition date:	2023-04-20
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(2~{R},3~{S})-3-[[(2~{S})-2-fluoranyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid

T85

T85
Name:	2-iodanyl-4-(2-phenylimidazol-1-yl)benzaldehyde
Formula:	C16 H11 I N2 O
SMILES:	Ic1cc(ccc1C=O)n2ccnc2c3ccccc3
InChi:	InChI=1S/C16H11IN2O/c17-15-10-14(7-6-13(15)11-20)19-9-8-18-16(19)12-4-2-1-3-5-12/h1-11H
Definition date:	2022-12-22
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	2-iodanyl-4-(2-phenylimidazol-1-yl)benzaldehyde

TB3

TB3
Name:	(2Z)-4-(4-bromo-2-chloroanilino)-4-oxobut-2-enoic acid
Formula:	C10 H7 Br Cl N O3
SMILES:	Brc1cc(Cl)c(NC(=O)C=C/C(=O)O)cc1
InChi:	InChI=1S/C10H7BrClNO3/c11-6-1-2-8(7(12)5-6)13-9(14)3-4-10(15)16/h1-5H,(H,13,14)(H,15,16)/b4-3-
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(2Z)-4-(4-bromo-2-chloroanilino)-4-oxobut-2-enoic acid

TK6

TK6
Name:	(5,6,7,8,9,10-hexahydrobenzo[8]annulen-2-yl)acetic acid
Formula:	C14 H18 O2
SMILES:	O=C(O)Cc1cc2CCCCCCc2cc1
InChi:	InChI=1S/C14H18O2/c15-14(16)10-11-7-8-12-5-3-1-2-4-6-13(12)9-11/h7-9H,1-6,10H2,(H,15,16)
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(5,6,7,8,9,10-hexahydrobenzo[8]annulen-2-yl)acetic acid

TQO

TQO
Name:	[(8R,9S)-8-benzyl-3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl]acetic acid
Formula:	C20 H28 O4
SMILES:	O=C(O)CC1CCC2(CC1Cc1ccccc1)OCC(C)(C)CO2
InChi:	InChI=1S/C20H28O4/c1-19(2)13-23-20(24-14-19)9-8-16(11-18(21)22)17(12-20)10-15-6-4-3-5-7-15/h3-7,16-17H,8-14H2,1-2H3,(H,21,22)/t16-,17+/m0/s1
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	[(8R,9S)-8-benzyl-3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl]acetic acid

IZ7

IZ7
Name:	(4E)-6-(5-methoxy-3,6,7-trimethyl-1,2-benzoxazol-4-yl)-4-methylhex-4-enoic acid
Formula:	C18 H23 N O4
SMILES:	O=C(O)CCC(C)=CCc1c(OC)c(C)c(C)c2onc(C)c12
InChi:	InChI=1S/C18H23NO4/c1-10(7-9-15(20)21)6-8-14-16-13(4)19-23-18(16)12(3)11(2)17(14)22-5/h6H,7-9H2,1-5H3,(H,20,21)/b10-6+
Definition date:	2023-05-05
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(4E)-6-(5-methoxy-3,6,7-trimethyl-1,2-benzoxazol-4-yl)-4-methylhex-4-enoic acid

TXO

TXO
Name:	5-phenoxy-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid
Formula:	C15 H9 F6 N O4
SMILES:	FC(F)(F)c1nc(OCC(F)(F)F)c(cc1C(=O)O)Oc1ccccc1
InChi:	InChI=1S/C15H9F6NO4/c16-14(17,18)7-25-12-10(26-8-4-2-1-3-5-8)6-9(13(23)24)11(22-12)15(19,20)21/h1-6H,7H2,(H,23,24)
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	5-phenoxy-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid

TZJ

TZJ
Name:	N-(2,1,3-benzothiadiazol-4-yl)-2,5-dichlorothiophene-3-sulfonamide
Formula:	C10 H5 Cl2 N3 O2 S3
SMILES:	Clc1cc(c(Cl)s1)S(=O)(=O)Nc1cccc2nsnc12
InChi:	InChI=1S/C10H5Cl2N3O2S3/c11-8-4-7(10(12)18-8)20(16,17)15-6-3-1-2-5-9(6)14-19-13-5/h1-4,15H
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	N-(2,1,3-benzothiadiazol-4-yl)-2,5-dichlorothiophene-3-sulfonamide

TZU

TZU
Name:	(3R,3aR,8bS)-3-({[(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methyl)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one
Formula:	C17 H16 O5
SMILES:	O=C1OC2C(Cc3ccccc32)C1COC1C=C(C)C(=O)O1
InChi:	InChI=1S/C17H16O5/c1-9-6-14(21-16(9)18)20-8-13-12-7-10-4-2-3-5-11(10)15(12)22-17(13)19/h2-6,12-15H,7-8H2,1H3/t12-,13+,14-,15-/m1/s1
Synonyms:	GR24
Definition date:	2022-07-29
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(3R,3aR,8bS)-3-({[(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methyl)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one

U6O

U6O
Name:	2-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylthiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid
Formula:	C18 H19 N3 O4 S
SMILES:	O=C(Nc1sc(C)c(C)c1c1nc(no1)C1CC1)C=1CCCC=1C(=O)O
InChi:	InChI=1S/C18H19N3O4S/c1-8-9(2)26-17(13(8)16-19-14(21-25-16)10-6-7-10)20-15(22)11-4-3-5-12(11)18(23)24/h10H,3-7H2,1-2H3,(H,20,22)(H,23,24)
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	2-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylthiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid

U8H

U8H
Name:	6-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5(2H,4H)-dithione
Formula:	C11 H11 N3 O S2
SMILES:	COc1ccc(cc1)CC1=NNC(=S)NC1=S
InChi:	InChI=1S/C11H11N3OS2/c1-15-8-4-2-7(3-5-8)6-9-10(16)12-11(17)14-13-9/h2-5H,6H2,1H3,(H2,12,14,16,17)
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	6-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5(2H,4H)-dithione

UB8

UB8
Name:	(3M)-5,6-dichloro-3-(2-chlorophenyl)-1H-indole-2-carboxylic acid
Formula:	C15 H8 Cl3 N O2
SMILES:	Clc1ccccc1c1c2cc(Cl)c(Cl)cc2[NH]c1C(=O)O
InChi:	InChI=1S/C15H8Cl3NO2/c16-9-4-2-1-3-7(9)13-8-5-10(17)11(18)6-12(8)19-14(13)15(20)21/h1-6,19H,(H,20,21)
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(3M)-5,6-dichloro-3-(2-chlorophenyl)-1H-indole-2-carboxylic acid

D1E

D1E
Name:	(4S,5R,8R)-4-ethyl-8-fluoro-4-[3-(3-fluoro-5-methoxypyridin-4-yl)phenyl]-7,7-dimethyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-5-ol
Formula:	C26 H28 F2 N4 O2
SMILES:	Fc1cncc(OC)c1c1cccc(c1)C1(CC)c2c[NH]nc2NC=2C(F)C(C)(C)CC(O)C=21
InChi:	InChI=1S/C26H28F2N4O2/c1-5-26(15-8-6-7-14(9-15)20-17(27)12-29-13-19(20)34-4)16-11-30-32-24(16)31-22-21(26)18(33)10-25(2,3)23(22)28/h6-9,11-13,18,23,33H,5,10H2,1-4H3,(H2,30,31,32)/t18-,23+,26+/m1/s1
Definition date:	2021-11-24
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(4S,5R,8R)-4-ethyl-8-fluoro-4-[3-(3-fluoro-5-methoxypyridin-4-yl)phenyl]-7,7-dimethyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-5-ol

KLX

KLX
Name:	(1R,2S,4S)-2-[(3-chlorophenoxy)methyl]-4-phenoxycyclohexane-1-carboxylic acid
Formula:	C20 H21 Cl O4
SMILES:	Clc1cccc(c1)OCC1CC(Oc2ccccc2)CCC1C(=O)O
InChi:	InChI=1S/C20H21ClO4/c21-15-5-4-8-17(12-15)24-13-14-11-18(9-10-19(14)20(22)23)25-16-6-2-1-3-7-16/h1-8,12,14,18-19H,9-11,13H2,(H,22,23)/t14-,18+,19-/m1/s1
Definition date:	2023-05-05
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(1R,2S,4S)-2-[(3-chlorophenoxy)methyl]-4-phenoxycyclohexane-1-carboxylic acid

KPO

KPO
Name:	1-[(8~{R},15~{S},18~{S})-15-(4-azanylbutyl)-18-(naphthalen-2-ylmethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine
Formula:	C37 H49 N9 O5
SMILES:	NCCCC[CH]1NC(=O)[CH](Cc2ccc3ccccc3c2)NC(=O)Cc4cccc(CNC(=O)CNC(=O)[CH](CCCCNC1=O)NC(N)=N)c4
InChi:	InChI=1S/C37H49N9O5/c38-16-5-3-12-29-34(49)41-17-6-4-13-30(46-37(39)40)35(50)43-23-33(48)42-22-26-9-7-8-24(18-26)21-32(47)44-31(36(51)45-29)20-25-14-15-27-10-1-2-11-28(27)19-25/h1-2,7-11,14-15,18-19,29-31H,3-6,12-13,16-17,20-23,38H2,(H,41,49)(H,42,48)(H,43,50)(H,44,47)(H,45,51)(H4,39,40,46)/t29-,30+,31-/m0/s1
Definition date:	2022-06-01
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	1-[(8~{R},15~{S},18~{S})-15-(4-azanylbutyl)-18-(naphthalen-2-ylmethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine

KS9

KS9
Name:	(phenylmethyl) N-[(3S,4S)-4-methyl-2-oxidanylidene-hexan-3-yl]carbamate
Formula:	C15 H21 N O3
SMILES:	CC[CH](C)[CH](NC(=O)OCc1ccccc1)C(C)=O
InChi:	InChI=1S/C15H21NO3/c1-4-11(2)14(12(3)17)16-15(18)19-10-13-8-6-5-7-9-13/h5-9,11,14H,4,10H2,1-3H3,(H,16,18)/t11-,14-/m0/s1
Synonyms:	benzyl ((3S,4R)-1-chloro-4-methyl-2-oxohexan-3-yl)carb (reacted form of)
Definition date:	2022-06-07
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(phenylmethyl) ~{N}-[(3~{S},4~{S})-4-methyl-2-oxidanylidene-hexan-3-yl]carbamate

KT6

KT6
Name:	4,5-bis(chloranyl)-N-(2-hydroxyethyl)-2-sulfanyl-benzamide
Formula:	C9 H9 Cl2 N O2 S
SMILES:	OCCNC(=O)c1cc(Cl)c(Cl)cc1S
InChi:	InChI=1S/C9H9Cl2NO2S/c10-6-3-5(8(15)4-7(6)11)9(14)12-1-2-13/h3-4,13,15H,1-2H2,(H,12,14)
Synonyms:	5,6-Dichloro-2-(2-hydroxyethyl)-1,2-benzisothiazol-3-one (reacted form of)
Definition date:	2022-06-07
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	4,5-bis(chloranyl)-~{N}-(2-hydroxyethyl)-2-sulfanyl-benzamide

KTI

KTI
Name:	(E)-3-chloranyl-3-[(2-chlorophenyl)methylsulfonyl]-N-(5-methoxypyridin-2-yl)prop-2-enamide
Formula:	C16 H14 Cl2 N2 O4 S
SMILES:	COc1ccc(NC(=O)C=C(Cl)[S](=O)(=O)Cc2ccccc2Cl)nc1
InChi:	InChI=1S/C16H14Cl2N2O4S/c1-24-12-6-7-15(19-9-12)20-16(21)8-14(18)25(22,23)10-11-4-2-3-5-13(11)17/h2-9H,10H2,1H3,(H,19,20,21)/b14-8-
Synonyms:	(E)-2,3-dichloro-3-[(2-chlorophenyl)methylsulfonyl]-N-(6-methoxypyridin-2-yl)prop-2-enamide (reacted form of)
Definition date:	2022-06-07
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(~{E})-3-chloranyl-3-[(2-chlorophenyl)methylsulfonyl]-~{N}-(5-methoxypyridin-2-yl)prop-2-enamide

KUL

KUL
Name:	1-(2-fluoranyl-5-methylsulfonyl-phenyl)pyrrolidine-2,5-dione
Formula:	C11 H10 F N O4 S
SMILES:	C[S](=O)(=O)c1ccc(F)c(c1)N2C(=O)CCC2=O
InChi:	InChI=1S/C11H10FNO4S/c1-18(16,17)7-2-3-8(12)9(6-7)13-10(14)4-5-11(13)15/h2-3,6H,4-5H2,1H3
Synonyms:	1-(2-Fluoro-5-methylsulfonylphenyl)pyrrole-2,5-dione (reacted form of)
Definition date:	2022-06-07
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	1-(2-fluoranyl-5-methylsulfonyl-phenyl)pyrrolidine-2,5-dione

KUS

KUS
Name:	(Z)-N-(4-chlorophenyl)-4-oxidanylidene-but-2-enamide
Formula:	C10 H8 Cl N O2
SMILES:	Clc1ccc(NC(=O)C=CC=O)cc1
InChi:	InChI=1S/C10H8ClNO2/c11-8-3-5-9(6-4-8)12-10(14)2-1-7-13/h1-7H,(H,12,14)/b2-1-
Synonyms:	N1-(4-chlorophenyl)-2-butenediamide (reacted form of)
Definition date:	2022-06-07
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(~{Z})-~{N}-(4-chlorophenyl)-4-oxidanylidene-but-2-enamide

KW2

KW2
Name:	(2~{R},3~{R},4~{S},5~{R})-2-[3-[[[(1~{R},2~{R},3~{R},5~{S})-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]amino]methyl]indol-1-yl]oxane-3,4,5-triol
Formula:	C24 H34 N2 O4
SMILES:	C[CH]1[CH](C[CH]2C[CH]1C2(C)C)NCc3cn([CH]4OC[CH](O)[CH](O)[CH]4O)c5ccccc35
InChi:	InChI=1S/C24H34N2O4/c1-13-17-8-15(24(17,2)3)9-18(13)25-10-14-11-26(19-7-5-4-6-16(14)19)23-22(29)21(28)20(27)12-30-23/h4-7,11,13,15,17-18,20-23,25,27-29H,8-10,12H2,1-3H3/t13-,15+,17-,18-,20-,21+,22-,23-/m1/s1
Definition date:	2022-06-07
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(2~{R},3~{R},4~{S},5~{R})-2-[3-[[[(1~{R},2~{R},3~{R},5~{S})-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]amino]methyl]indol-1-yl]oxane-3,4,5-triol

KW6

KW6
Name:	(2R,3R,4S,5R)-2-[4-azanyl-5-(2-quinolin-3-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Formula:	C22 H19 N5 O4
SMILES:	Nc1ncnc2n(cc(C#Cc3cnc4ccccc4c3)c12)[CH]5O[CH](CO)[CH](O)[CH]5O
InChi:	InChI=1S/C22H19N5O4/c23-20-17-14(6-5-12-7-13-3-1-2-4-15(13)24-8-12)9-27(21(17)26-11-25-20)22-19(30)18(29)16(10-28)31-22/h1-4,7-9,11,16,18-19,22,28-30H,10H2,(H2,23,25,26)/t16-,18-,19-,22-/m1/s1
Definition date:	2022-06-07
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(2~{R},3~{R},4~{S},5~{R})-2-[4-azanyl-5-(2-quinolin-3-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol

KWX

KWX
Name:	(1S,2S)-2-[(3-chloro-4-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
Formula:	C14 H15 Cl F N O3
SMILES:	OC(=O)C1CCCCC1C(=O)Nc1ccc(F)c(Cl)c1
InChi:	InChI=1S/C14H15ClFNO3/c15-11-7-8(5-6-12(11)16)17-13(18)9-3-1-2-4-10(9)14(19)20/h5-7,9-10H,1-4H2,(H,17,18)(H,19,20)/t9-,10+/m0/s1
Definition date:	2023-05-05
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(1S,2S)-2-[(3-chloro-4-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid

K0U

K0U
Name:	(2R)-3-methyl-2-[(2,4,5-trichlorophenyl)sulfanyl]butanoic acid
Formula:	C11 H11 Cl3 O2 S
SMILES:	Clc1cc(SC(C(=O)O)C(C)C)c(Cl)cc1Cl
InChi:	InChI=1S/C11H11Cl3O2S/c1-5(2)10(11(15)16)17-9-4-7(13)6(12)3-8(9)14/h3-5,10H,1-2H3,(H,15,16)/t10-/m1/s1
Definition date:	2023-05-05
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(2R)-3-methyl-2-[(2,4,5-trichlorophenyl)sulfanyl]butanoic acid

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222415

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