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UXU

UXU
Name:	(4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol
Formula:	C14 H10 F4 O3 S2
SMILES:	C[S](=O)(=O)c1sc(c2CC(F)(F)[CH](O)c12)c3cc(F)cc(F)c3
InChi:	InChI=1S/C14H10F4O3S2/c1-23(20,21)13-10-9(5-14(17,18)12(10)19)11(22-13)6-2-7(15)4-8(16)3-6/h2-4,12,19H,5H2,1H3/t12-/m0/s1
Definition date:	2023-02-15
Last modified:	2023-07-14
Release date:	2023-07-19
Identifier:	(4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol

UY3

UY3
Name:	(4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-6,7-dihydro-4~{H}-2-benzothiophen-4-ol
Formula:	C15 H12 F4 O3 S2
SMILES:	C[S](=O)(=O)c1sc(c2CCC(F)(F)[CH](O)c12)c3cc(F)cc(F)c3
InChi:	InChI=1S/C15H12F4O3S2/c1-24(21,22)14-11-10(2-3-15(18,19)13(11)20)12(23-14)7-4-8(16)6-9(17)5-7/h4-6,13,20H,2-3H2,1H3/t13-/m0/s1
Definition date:	2023-02-15
Last modified:	2023-07-14
Release date:	2023-07-19
Identifier:	(4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-6,7-dihydro-4~{H}-2-benzothiophen-4-ol

UYF

UYF
Name:	(4~{S})-1-cyclohexyloxy-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol
Formula:	C14 H18 F2 O4 S2
SMILES:	C[S](=O)(=O)c1sc(OC2CCCCC2)c3CC(F)(F)[CH](O)c13
InChi:	InChI=1S/C14H18F2O4S2/c1-22(18,19)13-10-9(7-14(15,16)11(10)17)12(21-13)20-8-5-3-2-4-6-8/h8,11,17H,2-7H2,1H3/t11-/m0/s1
Definition date:	2023-02-15
Last modified:	2023-07-14
Release date:	2023-07-19
Identifier:	(4~{S})-1-cyclohexyloxy-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol

RTO

RTO
Name:	4-(dipropylsulfamoyl)benzoic acid
Formula:	C13 H19 N O4 S
SMILES:	CCCN(CCC)[S](=O)(=O)c1ccc(cc1)C(O)=O
InChi:	InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)
Definition date:	2022-12-06
Last modified:	2023-07-14
Release date:	2023-07-19
Identifier:	4-(dipropylsulfamoyl)benzoic acid

K9E

K9E
Name:	[4-[[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]amino]methyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate
Formula:	C12 H19 N2 O8 P
SMILES:	Cc1ncc(CO[P](O)(O)=O)c(C=NC(CO)(CO)CO)c1O
InChi:	InChI=1S/C12H19N2O8P/c1-8-11(18)10(3-14-12(5-15,6-16)7-17)9(2-13-8)4-22-23(19,20)21/h2-3,15-18H,4-7H2,1H3,(H2,19,20,21)/b14-3+
Definition date:	2022-09-13
Last modified:	2023-07-14
Release date:	2023-07-19
Identifier:	[4-[(~{E})-[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]iminomethyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate

OD3

OD3
Name:	1,3-thiazolidine-2,4-dione
Formula:	C3 H3 N O2 S
SMILES:	O=C1CSC(=O)N1
InChi:	InChI=1S/C3H3NO2S/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)
Synonyms:	2,4-Thiazolidinedione
Definition date:	2023-01-31
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	1,3-thiazolidine-2,4-dione

YGI

YGI
Name:	{[(4S)-8,9-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetic acid
Formula:	C11 H10 N4 O2 S2
SMILES:	O=C(O)CSc1nnc2n1cnc1sc(C)c(C)c21
InChi:	InChI=1S/C11H10N4O2S2/c1-5-6(2)19-10-8(5)9-13-14-11(15(9)4-12-10)18-3-7(16)17/h4H,3H2,1-2H3,(H,16,17)
Definition date:	2023-06-14
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	{[(4S)-8,9-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetic acid

ODF

ODF
Name:	5-oxidanyl-1~{H}-pyrimidine-2,4-dione
Formula:	C4 H4 N2 O3
SMILES:	OC1=CNC(=O)NC1=O
InChi:	InChI=1S/C4H4N2O3/c7-2-1-5-4(9)6-3(2)8/h1,7H,(H2,5,6,8,9)
Synonyms:	5-Hydroxy-2,4(1H,3H)-pyrimidinedion
Definition date:	2023-01-31
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	5-oxidanyl-1~{H}-pyrimidine-2,4-dione

XPW

XPW
Name:	1-({(5S,7S)-3-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl}methyl)-1H-benzimidazole-6-carbonitrile
Formula:	C25 H28 N6 O3
SMILES:	CC(C)(O)c1ncc(nc1)N1CC2(CCCC(C)(Cn3cnc4ccc(C#N)cc43)C2)OC1=O
InChi:	InChI=1S/C25H28N6O3/c1-23(2,33)20-11-28-21(12-27-20)31-15-25(34-22(31)32)8-4-7-24(3,13-25)14-30-16-29-18-6-5-17(10-26)9-19(18)30/h5-6,9,11-12,16,33H,4,7-8,13-15H2,1-3H3/t24-,25-/m0/s1
Synonyms:	GSK2798745
Definition date:	2022-12-05
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	1-({(5S,7S)-3-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl}methyl)-1H-benzimidazole-6-carbonitrile

XQ3

XQ3
Name:	N-[(2S)-1-{4-[N-(2,4-dichlorobenzene-1-sulfonyl)-L-seryl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide
Formula:	C28 H32 Cl2 N4 O6 S2
SMILES:	Clc1ccc(c(Cl)c1)S(=O)(=O)NC(CO)C(=O)N1CCN(CC1)C(=O)C(CC(C)C)NC(=O)c1cc2ccccc2s1
InChi:	InChI=1S/C28H32Cl2N4O6S2/c1-17(2)13-21(31-26(36)24-14-18-5-3-4-6-23(18)41-24)27(37)33-9-11-34(12-10-33)28(38)22(16-35)32-42(39,40)25-8-7-19(29)15-20(25)30/h3-8,14-15,17,21-22,32,35H,9-13,16H2,1-2H3,(H,31,36)/t21-,22-/m0/s1
Synonyms:	GSK1016790A
Definition date:	2022-12-05
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	N-[(2S)-1-{4-[N-(2,4-dichlorobenzene-1-sulfonyl)-L-seryl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide

WYH

WYH
Name:	2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole
Formula:	C11 H12 N2
SMILES:	C1Cc2c(CN1)[nH]c3ccccc23
InChi:	InChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-4,12-13H,5-7H2
Definition date:	2022-07-05
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole

XQU

XQU
Name:	nitrosochloramphenicol
Formula:	C11 H14 Cl2 N2 O4
SMILES:	ONc1ccc(cc1)C(O)C(CO)NC(=O)C(Cl)Cl
InChi:	InChI=1S/C11H14Cl2N2O4/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(15-19)4-2-6/h1-4,8-10,15-17,19H,5H2,(H,14,18)/t8-,9-/m1/s1
Synonyms:	2,2-dichloro-N-{(1R,2R)-1,3-dihydroxy-1-[4-(hydroxyamino)phenyl]propan-2-yl}acetamide
Definition date:	2022-12-05
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	2,2-dichloro-N-{(1R,2R)-1,3-dihydroxy-1-[4-(hydroxyamino)phenyl]propan-2-yl}acetamide

YW6

YW6
Name:	2-(furan-3-yl)ethanoic acid
Formula:	C6 H6 O3
SMILES:	OC(=O)Cc1cocc1
InChi:	InChI=1S/C6H6O3/c7-6(8)3-5-1-2-9-4-5/h1-2,4H,3H2,(H,7,8)
Definition date:	2023-06-21
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	2-(furan-3-yl)ethanoic acid

S2F

S2F
Name:	(~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-2-[(~{E})-3,3-bis(fluoranyl)-4-phenoxy-but-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid
Formula:	C22 H28 F2 O5
SMILES:	O[CH]1C[CH](O)[CH](C=CC(F)(F)COc2ccccc2)[CH]1CC=CCCCC(O)=O
InChi:	InChI=1S/C22H28F2O5/c23-22(24,15-29-16-8-4-3-5-9-16)13-12-18-17(19(25)14-20(18)26)10-6-1-2-7-11-21(27)28/h1,3-6,8-9,12-13,17-20,25-26H,2,7,10-11,14-15H2,(H,27,28)/b6-1-,13-12+/t17-,18-,19+,20-/m1/s1
Synonyms:	Tafluprost acid
Definition date:	2023-04-08
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	(~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-2-[(~{E})-3,3-bis(fluoranyl)-4-phenoxy-but-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid

ZKK

ZKK
Name:	(2S)-Methylsuccinyl-CoA
Formula:	C26 H42 N7 O19 P3 S
SMILES:	C[CH](CC(O)=O)C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C26H42N7O19P3S/c1-13(8-16(35)36)25(40)56-7-6-28-15(34)4-5-29-23(39)20(38)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-19(51-53(41,42)43)18(37)24(50-14)33-12-32-17-21(27)30-11-31-22(17)33/h11-14,18-20,24,37-38H,4-10H2,1-3H3,(H,28,34)(H,29,39)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/t13-,14+,18+,19+,20-,24+/m0/s1
Synonyms:	(3S)-4-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-methyl-4-oxidanylidene-butanoic acid
Definition date:	2023-06-28
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	(3~{S})-4-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-methyl-4-oxidanylidene-butanoic acid

YX2

YX2
Name:	3-propanamido-1-benzofuran-2-carboxamide
Formula:	C12 H12 N2 O3
SMILES:	CCC(=O)Nc1c2ccccc2oc1C(N)=O
InChi:	InChI=1S/C12H12N2O3/c1-2-9(15)14-10-7-5-3-4-6-8(7)17-11(10)12(13)16/h3-6H,2H2,1H3,(H2,13,16)(H,14,15)
Definition date:	2023-06-22
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	3-propanamido-1-benzofuran-2-carboxamide

OG6

OG6
Name:	6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione
Formula:	C5 H6 N2 O4
SMILES:	OC(O)C1=CC(=O)NC(=O)N1
InChi:	InChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1,4,9-10H,(H2,6,7,8,11)
Synonyms:	6-Formyl-uracil hydrate
Definition date:	2023-02-01
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	6-[bis(oxidanyl)methyl]-1~{H}-pyrimidine-2,4-dione

YX6

YX6
Name:	N-[(3R)-6-oxopiperidin-3-yl]-1,3-thiazole-4-carboxamide
Formula:	C9 H11 N3 O2 S
SMILES:	O=C(NC1CCC(=O)NC1)c1cscn1
InChi:	InChI=1S/C9H11N3O2S/c13-8-2-1-6(3-10-8)12-9(14)7-4-15-5-11-7/h4-6H,1-3H2,(H,10,13)(H,12,14)/t6-/m1/s1
Definition date:	2023-06-22
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	N-[(3R)-6-oxopiperidin-3-yl]-1,3-thiazole-4-carboxamide

YXB

YXB
Name:	N-[(1H-indol-4-yl)methyl]ethanamine
Formula:	C11 H14 N2
SMILES:	CCNCc1cccc2[NH]ccc12
InChi:	InChI=1S/C11H14N2/c1-2-12-8-9-4-3-5-11-10(9)6-7-13-11/h3-7,12-13H,2,8H2,1H3
Definition date:	2023-06-22
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	N-[(1H-indol-4-yl)methyl]ethanamine

YXH

YXH
Name:	1-(1H-benzimidazol-2-yl)methanamine
Formula:	C8 H9 N3
SMILES:	NCc1nc2ccccc2[NH]1
InChi:	InChI=1S/C8H9N3/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5,9H2,(H,10,11)
Definition date:	2023-06-22
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	1-(1H-benzimidazol-2-yl)methanamine

YXK

YXK
Name:	[1-(2,2,2-trifluoroethyl)-1H-imidazol-2-yl]acetonitrile
Formula:	C7 H6 F3 N3
SMILES:	FC(F)(F)Cn1ccnc1CC#N
InChi:	InChI=1S/C7H6F3N3/c8-7(9,10)5-13-4-3-12-6(13)1-2-11/h3-4H,1,5H2
Definition date:	2023-06-22
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	[1-(2,2,2-trifluoroethyl)-1H-imidazol-2-yl]acetonitrile

YXO

YXO
Name:	1-(difluoromethyl)-1H-indol-5-amine
Formula:	C9 H8 F2 N2
SMILES:	FC(F)n1ccc2cc(N)ccc21
InChi:	InChI=1S/C9H8F2N2/c10-9(11)13-4-3-6-5-7(12)1-2-8(6)13/h1-5,9H,12H2
Definition date:	2023-06-22
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	1-(difluoromethyl)-1H-indol-5-amine

YXU

YXU
Name:	5-methoxy-1H-pyrrolo[3,2-b]pyridine
Formula:	C8 H8 N2 O
SMILES:	COc1ccc2[NH]ccc2n1
InChi:	InChI=1S/C8H8N2O/c1-11-8-3-2-6-7(10-8)4-5-9-6/h2-5,9H,1H3
Definition date:	2023-06-22
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	5-methoxy-1H-pyrrolo[3,2-b]pyridine

YYI

YYI
Name:	5-(difluoromethoxy)pyridin-2(3H)-one
Formula:	C6 H5 F2 N O2
SMILES:	O=C1CC=C(OC(F)F)C=N1
InChi:	InChI=1S/C6H5F2NO2/c7-6(8)11-4-1-2-5(10)9-3-4/h1,3,6H,2H2
Definition date:	2023-06-22
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	5-(difluoromethoxy)pyridin-2(3H)-one

YZK

YZK
Name:	(3M)-3-(2-methyl-1H-imidazol-1-yl)pyridine
Formula:	C9 H9 N3
SMILES:	Cc1nccn1c1cnccc1
InChi:	InChI=1S/C9H9N3/c1-8-11-5-6-12(8)9-3-2-4-10-7-9/h2-7H,1H3
Definition date:	2023-06-22
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	(3M)-3-(2-methyl-1H-imidazol-1-yl)pyridine

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