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5Z6

5Z6
Name:	4-[(E)-3-(3,5-ditert-butylphenyl)-3-oxidanylidene-prop-1-enyl]benzoic acid
Formula:	C24 H28 O3
SMILES:	CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)C=Cc2ccc(cc2)C(O)=O
InChi:	InChI=1S/C24H28O3/c1-23(2,3)19-13-18(14-20(15-19)24(4,5)6)21(25)12-9-16-7-10-17(11-8-16)22(26)27/h7-15H,1-6H3,(H,26,27)/b12-9+
Definition date:	2022-02-04
Last modified:	2023-01-20
Release date:	2023-01-25
Identifier:	4-[(~{E})-3-(3,5-di~{tert}-butylphenyl)-3-oxidanylidene-prop-1-enyl]benzoic acid

5ZV

5ZV
Name:	[[(2~{R},3~{R},4~{S},5~{R})-5-(3-aminocarbonylpyridin-1-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Formula:	C21 H27 F N7 O13 P2
SMILES:	NC(=O)c1ccc[n](c1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2F
InChi:	InChI=1S/C21H27FN7O13P2/c22-12-14(30)10(40-20(12)28-3-1-2-9(4-28)18(24)33)5-38-43(34,35)42-44(36,37)39-6-11-15(31)16(32)21(41-11)29-8-27-13-17(23)25-7-26-19(13)29/h1-4,7-8,10-12,14-16,20-21,30-32H,5-6H2,(H2,24,33)(H,34,35)(H,36,37)(H2,23,25,26)/t10-,11-,12+,14-,15-,16-,20-,21-/m1/s1
Definition date:	2022-02-10
Last modified:	2023-01-20
Release date:	2023-01-25
Identifier:	[[(2~{R},3~{R},4~{S},5~{R})-5-(3-aminocarbonylpyridin-1-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate

5ZY

5ZY
Name:	[[(3~{a}~{S},5~{R},6~{R},6~{a}~{R})-2-azanylidene-3-[(4~{R})-4-azanyl-5-oxidanylidene-pentyl]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxazol-5-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Formula:	C21 H32 N8 O14 P2
SMILES:	N[CH](CCCN1[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2OC1=N)C=O
InChi:	InChI=1S/C21H32N8O14P2/c22-9(4-30)2-1-3-28-20-16(42-21(28)24)14(32)11(41-20)6-39-45(36,37)43-44(34,35)38-5-10-13(31)15(33)19(40-10)29-8-27-12-17(23)25-7-26-18(12)29/h4,7-11,13-16,19-20,24,31-33H,1-3,5-6,22H2,(H,34,35)(H,36,37)(H2,23,25,26)/b24-21-/t9-,10-,11-,13-,14-,15-,16-,19-,20+/m1/s1
Definition date:	2022-02-10
Last modified:	2023-01-20
Release date:	2023-01-25
Identifier:	[[(3~{a}~{S},5~{R},6~{R},6~{a}~{R})-2-azanylidene-3-[(4~{R})-4-azanyl-5-oxidanylidene-pentyl]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxazol-5-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate

HYJ

HYJ
Name:	9-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[[tris(oxidanyl)-$l^{5}-phosphanyl]oxymethyl]oxolan-2-yl]-2-oxidanyl-1~{H}-purin-6-one
Formula:	C10 H13 N4 O9 P
SMILES:	O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)NC(=Nc23)O
InChi:	InChI=1S/C10H13N4O9P/c15-5-3(1-22-24(19,20)21)23-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H2,19,20,21)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1
Definition date:	2022-02-07
Last modified:	2023-01-20
Release date:	2023-01-25
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(2-oxidanyl-6-oxidanylidene-1~{H}-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate

I1B

I1B
Name:	6,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Formula:	C10 H9 N3 S
SMILES:	Cc1cc(C)c2n3cnnc3sc2c1
InChi:	InChI=1S/C10H9N3S/c1-6-3-7(2)9-8(4-6)14-10-12-11-5-13(9)10/h3-5H,1-2H3
Synonyms:	5,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole
Definition date:	2022-02-08
Last modified:	2023-01-20
Release date:	2023-01-25
Identifier:	6,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole

EMI

EMI
Name:	N-(2-aminophenyl)-4-((2-oxo-2-((4-sulfamoylphenethyl)amino)ethyl)amino)benzamide
Formula:	C23 H25 N5 O4 S
SMILES:	Nc1ccccc1NC(=O)c2ccc(NCC(=O)NCCc3ccc(cc3)[S](N)(=O)=O)cc2
InChi:	InChI=1S/C23H25N5O4S/c24-20-3-1-2-4-21(20)28-23(30)17-7-9-18(10-8-17)27-15-22(29)26-14-13-16-5-11-19(12-6-16)33(25,31)32/h1-12,27H,13-15,24H2,(H,26,29)(H,28,30)(H2,25,31,32)
Definition date:	2022-01-11
Last modified:	2023-01-20
Release date:	2023-01-25
Identifier:	~{N}-(2-aminophenyl)-4-[[2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]benzamide

EUM

EUM
Name:	~{N}-(2-aminophenyl)-4-[[2-oxidanylidene-2-[(4-sulfamoylphenyl)methylamino]ethyl]amino]benzamide
Formula:	C22 H23 N5 O4 S
SMILES:	Nc1ccccc1NC(=O)c2ccc(NCC(=O)NCc3ccc(cc3)[S](N)(=O)=O)cc2
InChi:	InChI=1S/C22H23N5O4S/c23-19-3-1-2-4-20(19)27-22(29)16-7-9-17(10-8-16)25-14-21(28)26-13-15-5-11-18(12-6-15)32(24,30)31/h1-12,25H,13-14,23H2,(H,26,28)(H,27,29)(H2,24,30,31)
Synonyms:	N-(2-aminophenyl)-4-((2-oxo-2-((4-sulfamoylbenzyl)amino)ethyl)amino)benzamide
Definition date:	2022-01-17
Last modified:	2023-01-20
Release date:	2023-01-25
Identifier:	~{N}-(2-aminophenyl)-4-[[2-oxidanylidene-2-[(4-sulfamoylphenyl)methylamino]ethyl]amino]benzamide

MV0

MV0
Name:	7-acetyl-4-methoxy-1-benzofuran-3(2H)-one
Formula:	C11 H10 O4
SMILES:	CC(=O)c1ccc(OC)c2c1OCC2=O
InChi:	InChI=1S/C11H10O4/c1-6(12)7-3-4-9(14-2)10-8(13)5-15-11(7)10/h3-4H,5H2,1-2H3
Definition date:	2022-03-17
Last modified:	2023-01-20
Release date:	2023-01-25
Identifier:	7-acetyl-4-methoxy-1-benzofuran-3(2H)-one

2I9

2I9
Name:	(~{Z})-4-[2-[4-[[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]oxy]phenoxy]ethylamino]-~{N},~{N}-dimethyl-but-2-enamide
Formula:	C28 H28 N2 O5 S
SMILES:	CN(C)C(=O)C=CCNCCOc1ccc(Oc2c(sc3cc(O)ccc23)c4ccc(O)cc4)cc1
InChi:	InChI=1S/C28H28N2O5S/c1-30(2)26(33)4-3-15-29-16-17-34-22-10-12-23(13-11-22)35-27-24-14-9-21(32)18-25(24)36-28(27)19-5-7-20(31)8-6-19/h3-14,18,29,31-32H,15-17H2,1-2H3/b4-3-
Definition date:	2022-01-27
Last modified:	2023-01-20
Release date:	2023-01-25
Identifier:	(~{Z})-4-[2-[4-[[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]oxy]phenoxy]ethylamino]-~{N},~{N}-dimethyl-but-2-enamide

08O

08O
Name:	(Z)-docos-13-enoic acid
Formula:	C22 H42 O2
SMILES:	CCCCCCCCC=CCCCCCCCCCCCC(O)=O
InChi:	InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9-
Definition date:	2022-01-19
Last modified:	2023-01-20
Release date:	2023-01-25
Identifier:	(~{Z})-docos-13-enoic acid

7UT

7UT
Name:	12-methoxylauric acid
Formula:	C13 H26 O3
SMILES:	COCCCCCCCCCCCC(O)=O
InChi:	InChI=1S/C13H26O3/c1-16-12-10-8-6-4-2-3-5-7-9-11-13(14)15/h2-12H2,1H3,(H,14,15)
Synonyms:	12-methoxydodecanoic acid
Definition date:	2021-09-06
Last modified:	2023-01-20
Release date:	2023-01-25
Identifier:	12-methoxydodecanoic acid

IUC

IUC
Name:	(4-bromanyl-3-nitro-phenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
Formula:	C17 H15 Br F N3 O3
SMILES:	[O-][N+](=O)c1cc(ccc1Br)C(=O)N2CCN(CC2)c3ccccc3F
InChi:	InChI=1S/C17H15BrFN3O3/c18-13-6-5-12(11-16(13)22(24)25)17(23)21-9-7-20(8-10-21)15-4-2-1-3-14(15)19/h1-6,11H,7-10H2
Definition date:	2022-04-13
Last modified:	2023-01-20
Release date:	2023-01-25
Identifier:	(4-bromanyl-3-nitro-phenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

IUF

IUF
Name:	~{O}9-methyl ~{O}4-[2,2,2-tris(chloranyl)ethyl] (5~{a}~{S},6~{a}~{S},9~{R},10~{a}~{S})-7-methyl-3-nitro-5,5~{a},6,6~{a},8,9,10,10~{a}-octahydroindolo[4,3-fg]quinoline-4,9-dicarboxylate
Formula:	C20 H22 Cl3 N3 O6
SMILES:	COC(=O)[CH]1C[CH]2[CH](C[CH]3CN(C(=O)OCC(Cl)(Cl)Cl)c4c(ccc2c34)[N+]([O-])=O)N(C)C1
InChi:	InChI=1S/C20H22Cl3N3O6/c1-24-7-11(18(27)31-2)5-13-12-3-4-14(26(29)30)17-16(12)10(6-15(13)24)8-25(17)19(28)32-9-20(21,22)23/h3-4,10-11,13,15H,5-9H2,1-2H3/t10-,11-,13+,15+/m1/s1
Definition date:	2022-04-13
Last modified:	2023-01-20
Release date:	2023-01-25
Identifier:	~{O}9-methyl ~{O}4-[2,2,2-tris(chloranyl)ethyl] (5~{a}~{S},6~{a}~{S},9~{R},10~{a}~{S})-7-methyl-3-nitro-5,5~{a},6,6~{a},8,9,10,10~{a}-octahydroindolo[4,3-fg]quinoline-4,9-dicarboxylate

IUJ

IUJ
Name:	4-fluoranyl-~{N}-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
Formula:	C18 H19 F N2 O
SMILES:	Fc1ccc(cc1)C(=O)NCc2ccc(cc2)N3CCCC3
InChi:	InChI=1S/C18H19FN2O/c19-16-7-5-15(6-8-16)18(22)20-13-14-3-9-17(10-4-14)21-11-1-2-12-21/h3-10H,1-2,11-13H2,(H,20,22)
Definition date:	2022-04-13
Last modified:	2023-01-20
Release date:	2023-01-25
Identifier:	4-fluoranyl-~{N}-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide

IUO

IUO
Name:	(4-chloranyl-3-nitro-phenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
Formula:	C17 H15 Cl F N3 O3
SMILES:	[O-][N+](=O)c1cc(ccc1Cl)C(=O)N2CCN(CC2)c3ccccc3F
InChi:	InChI=1S/C17H15ClFN3O3/c18-13-6-5-12(11-16(13)22(24)25)17(23)21-9-7-20(8-10-21)15-4-2-1-3-14(15)19/h1-6,11H,7-10H2
Definition date:	2022-04-13
Last modified:	2023-01-20
Release date:	2023-01-25
Identifier:	(4-chloranyl-3-nitro-phenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

WNQ

WNQ
Name:	4-(4-methylpiperazine-1-sulfonyl)benzamide
Formula:	C12 H17 N3 O3 S
SMILES:	CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(N)=O
InChi:	InChI=1S/C12H17N3O3S/c1-14-6-8-15(9-7-14)19(17,18)11-4-2-10(3-5-11)12(13)16/h2-5H,6-9H2,1H3,(H2,13,16)
Definition date:	2022-10-04
Last modified:	2023-01-13
Release date:	2023-01-18
Identifier:	4-(4-methylpiperazine-1-sulfonyl)benzamide

X4I

X4I
Name:	N~2~-(3,5-difluorophenyl)-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]glycinamide
Formula:	C22 H16 F5 N3 O3
SMILES:	Fc1cc(cc(F)c1F)c1ccc(cc1)C(NC(=O)CNc1cc(F)cc(F)c1)C(=O)NO
InChi:	InChI=1S/C22H16F5N3O3/c23-14-7-15(24)9-16(8-14)28-10-19(31)29-21(22(32)30-33)12-3-1-11(2-4-12)13-5-17(25)20(27)18(26)6-13/h1-9,21,28,33H,10H2,(H,29,31)(H,30,32)/t21-/m1/s1
Definition date:	2022-10-27
Last modified:	2023-01-13
Release date:	2023-01-18
Identifier:	N~2~-(3,5-difluorophenyl)-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]glycinamide

X4O

X4O
Name:	N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-(4-fluorophenyl)glycinamide
Formula:	C16 H15 Br F N3 O3
SMILES:	Brc1ccc(cc1)C(NC(=O)CNc1ccc(F)cc1)C(=O)NO
InChi:	InChI=1S/C16H15BrFN3O3/c17-11-3-1-10(2-4-11)15(16(23)21-24)20-14(22)9-19-13-7-5-12(18)6-8-13/h1-8,15,19,24H,9H2,(H,20,22)(H,21,23)/t15-/m1/s1
Definition date:	2022-10-27
Last modified:	2023-01-13
Release date:	2023-01-18
Identifier:	N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-(4-fluorophenyl)glycinamide

X4T

X4T
Name:	N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-phenylglycinamide
Formula:	C16 H16 Br N3 O3
SMILES:	Brc1ccc(cc1)C(NC(=O)CNc1ccccc1)C(=O)NO
InChi:	InChI=1S/C16H16BrN3O3/c17-12-8-6-11(7-9-12)15(16(22)20-23)19-14(21)10-18-13-4-2-1-3-5-13/h1-9,15,18,23H,10H2,(H,19,21)(H,20,22)/t15-/m1/s1
Definition date:	2022-10-27
Last modified:	2023-01-13
Release date:	2023-01-18
Identifier:	N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-phenylglycinamide

X68

X68
Name:	N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-(3-fluorophenyl)glycinamide
Formula:	C16 H15 Br F N3 O3
SMILES:	Brc1ccc(cc1)C(NC(=O)CNc1cccc(F)c1)C(=O)NO
InChi:	InChI=1S/C16H15BrFN3O3/c17-11-6-4-10(5-7-11)15(16(23)21-24)20-14(22)9-19-13-3-1-2-12(18)8-13/h1-8,15,19,24H,9H2,(H,20,22)(H,21,23)/t15-/m1/s1
Definition date:	2022-10-31
Last modified:	2023-01-13
Release date:	2023-01-18
Identifier:	N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-(3-fluorophenyl)glycinamide

X9N

X9N
Name:	1-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]butan-1-one
Formula:	C16 H23 F N2 O
SMILES:	CCN1CCN(CC1)c1ccc(cc1F)C(=O)CCC
InChi:	InChI=1S/C16H23FN2O/c1-3-5-16(20)13-6-7-15(14(17)12-13)19-10-8-18(4-2)9-11-19/h6-7,12H,3-5,8-11H2,1-2H3
Definition date:	2022-11-07
Last modified:	2023-01-13
Release date:	2023-01-18
Identifier:	1-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]butan-1-one

S5N

S5N
Name:	N-((1,4-dimethyl-2-oxo-1,2-dihydroquinolin-6-yl)methyl)benzenesulfonamide
Formula:	C18 H18 N2 O3 S
SMILES:	CN1C(=O)C=C(C)c2cc(CN[S](=O)(=O)c3ccccc3)ccc12
InChi:	InChI=1S/C18H18N2O3S/c1-13-10-18(21)20(2)17-9-8-14(11-16(13)17)12-19-24(22,23)15-6-4-3-5-7-15/h3-11,19H,12H2,1-2H3
Synonyms:	~{N}-[(1,4-dimethyl-2-oxidanylidene-quinolin-6-yl)methyl]benzenesulfonamide
Definition date:	2020-11-08
Last modified:	2023-01-13
Release date:	2023-01-18
Identifier:	~{N}-[(1,4-dimethyl-2-oxidanylidene-quinolin-6-yl)methyl]benzenesulfonamide

X0I

X0I
Name:	(2R)-2-(cyclopentylcarbamamido)-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide
Formula:	C20 H20 F3 N3 O3
SMILES:	O=C(NC(c1ccc(cc1)c1cc(F)c(F)c(F)c1)C(=O)NO)NC1CCCC1
InChi:	InChI=1S/C20H20F3N3O3/c21-15-9-13(10-16(22)17(15)23)11-5-7-12(8-6-11)18(19(27)26-29)25-20(28)24-14-3-1-2-4-14/h5-10,14,18,29H,1-4H2,(H,26,27)(H2,24,25,28)/t18-/m1/s1
Definition date:	2022-10-25
Last modified:	2023-01-13
Release date:	2023-01-18
Identifier:	(2R)-2-(cyclopentylcarbamamido)-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide

X10

X10
Name:	N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-N~2~-phenylglycinamide
Formula:	C22 H18 F3 N3 O3
SMILES:	Fc1cc(cc(F)c1F)c1ccc(cc1)C(NC(=O)CNc1ccccc1)C(=O)NO
InChi:	InChI=1S/C22H18F3N3O3/c23-17-10-15(11-18(24)20(17)25)13-6-8-14(9-7-13)21(22(30)28-31)27-19(29)12-26-16-4-2-1-3-5-16/h1-11,21,26,31H,12H2,(H,27,29)(H,28,30)/t21-/m1/s1
Definition date:	2022-10-25
Last modified:	2023-01-13
Release date:	2023-01-18
Identifier:	N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-N~2~-phenylglycinamide

TKR

TKR
Name:	[1-[2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,2,3-triazolidin-4-yl]methyl hydrogen carbonate
Formula:	C14 H21 N5 O6 S
SMILES:	N[S](=O)(=O)c1ccc(CCNC(=O)CN2CC(COC(O)=O)NN2)cc1
InChi:	InChI=1S/C14H21N5O6S/c15-26(23,24)12-3-1-10(2-4-12)5-6-16-13(20)8-19-7-11(17-18-19)9-25-14(21)22/h1-4,11,17-18H,5-9H2,(H,16,20)(H,21,22)(H2,15,23,24)
Definition date:	2023-01-10
Last modified:	2023-01-13
Release date:	2023-01-18
Identifier:	[1-[2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,2,3-triazolidin-4-yl]methyl hydrogen carbonate

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