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ELR

ELR
Name:	phosphono [(3~{S},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] hydrogen phosphate
Formula:	C20 H38 O7 P2
SMILES:	C[CH](CCO[P](O)(=O)O[P](O)(O)=O)CCC=C(C)CCC=C(C)CCC=C(C)C
InChi:	InChI=1S/C20H38O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,20H,6-8,10,12,14-16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+/t20-/m0/s1
Definition date:	2020-01-15
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	phosphono [(3~{S},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] hydrogen phosphate

ELU

ELU
Name:	phosphono [(3~{R},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] hydrogen phosphate
Formula:	C20 H38 O7 P2
SMILES:	C[CH](CCO[P](O)(=O)O[P](O)(O)=O)CCC=C(C)CCC=C(C)CCC=C(C)C
InChi:	InChI=1S/C20H38O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,20H,6-8,10,12,14-16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+/t20-/m1/s1
Definition date:	2020-01-15
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	phosphono [(3~{R},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] hydrogen phosphate

ELX

ELX
Name:	(2~{E},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol
Formula:	C20 H34 O
SMILES:	CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO
InChi:	InChI=1S/C20H34O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,11,13,15,21H,6-8,10,12,14,16H2,1-5H3/b18-11+,19-13+,20-15+
Definition date:	2020-01-15
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	(2~{E},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol

F8F

F8F
Name:	(2S,5S)-5-azanyl-3,4,6-tris(oxidanyl)oxane-2-carboxylic acid
Formula:	C6 H11 N O6
SMILES:	N[CH]1[CH](O)O[CH]([CH](O)[CH]1O)C(O)=O
InChi:	InChI=1S/C6H11NO6/c7-1-2(8)3(9)4(5(10)11)13-6(1)12/h1-4,6,8-9,12H,7H2,(H,10,11)/t1-,2-,3+,4-,6-/m0/s1
Definition date:	2020-04-14
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	(2~{S},5~{S})-5-azanyl-3,4,6-tris(oxidanyl)oxane-2-carboxylic acid

F8X

F8X
Name:	2-amino-2-deoxy-beta-D-altropyranuronic acid
Formula:	C6 H11 N O6
SMILES:	NC1C(O)C(O)C(C(O)=O)OC1O
InChi:	InChI=1S/C6H11NO6/c7-1-2(8)3(9)4(5(10)11)13-6(1)12/h1-4,6,8-9,12H,7H2,(H,10,11)/t1-,2-,3-,4-,6+/m0/s1
Definition date:	2020-04-16
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	2-amino-2-deoxy-beta-D-altropyranuronic acid

FJF

FJF
Name:	5-[(2~{S},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1~{H}-pyrimidine-2,4-dione
Formula:	C9 H12 N2 O6
SMILES:	OC[CH]1O[CH]([CH](O)[CH]1O)C2=CNC(=O)NC2=O
InChi:	InChI=1S/C9H12N2O6/c12-2-4-5(13)6(14)7(17-4)3-1-10-9(16)11-8(3)15/h1,4-7,12-14H,2H2,(H2,10,11,15,16)/t4-,5-,6-,7+/m1/s1
Definition date:	2020-05-20
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	5-[(2~{S},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1~{H}-pyrimidine-2,4-dione

GMX

GMX
Name:	2-amino-9-(6-deoxy-5-O-phosphono-beta-D-allofuranosyl)-3,9-dihydro-6H-purin-6-one
Formula:	C11 H16 N5 O8 P
SMILES:	OP(OC(C1C(C(C(O1)n2c3c(nc2)C(N=C(N)N3)=O)O)O)C)(=O)O
InChi:	InChI=1S/C11H16N5O8P/c1-3(24-25(20,21)22)7-5(17)6(18)10(23-7)16-2-13-4-8(16)14-11(12)15-9(4)19/h2-3,5-7,10,17-18H,1H3,(H2,20,21,22)(H3,12,14,15,19)/t3-,5+,6-,7-,10-/m1/s1
Definition date:	2020-01-06
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	2-amino-9-(6-deoxy-5-O-phosphono-beta-D-allofuranosyl)-3,9-dihydro-6H-purin-6-one

WHP

WHP
Name:	N-[(1R)-1-(2-chlorophenyl)ethyl]methanesulfonamide
Formula:	C9 H12 Cl N O2 S
SMILES:	c1cccc(Cl)c1C(NS(=O)(C)=O)C
InChi:	InChI=1S/C9H12ClNO2S/c1-7(11-14(2,12)13)8-5-3-4-6-9(8)10/h3-7,11H,1-2H3/t7-/m1/s1
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	N-[(1R)-1-(2-chlorophenyl)ethyl]methanesulfonamide

WHS

WHS
Name:	4-methyl-N-{[(2R)-oxolan-2-yl]methyl}-1,3-thiazol-2-amine
Formula:	C9 H14 N2 O S
SMILES:	n1c(C)csc1NCC2CCCO2
InChi:	InChI=1S/C9H14N2OS/c1-7-6-13-9(11-7)10-5-8-3-2-4-12-8/h6,8H,2-5H2,1H3,(H,10,11)/t8-/m1/s1
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	4-methyl-N-{[(2R)-oxolan-2-yl]methyl}-1,3-thiazol-2-amine

WHV

WHV
Name:	(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethan-1-amine
Formula:	C8 H14 N2 S
SMILES:	n1c(C)c(C(NC)C)sc1C
InChi:	InChI=1S/C8H14N2S/c1-5(9-4)8-6(2)10-7(3)11-8/h5,9H,1-4H3/t5-/m0/s1
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethan-1-amine

WHY

WHY
Name:	4-[(dimethylamino)methyl]benzonitrile
Formula:	C10 H12 N2
SMILES:	N#Cc1ccc(CN(C)C)cc1
InChi:	InChI=1S/C10H12N2/c1-12(2)8-10-5-3-9(7-11)4-6-10/h3-6H,8H2,1-2H3
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	4-[(dimethylamino)methyl]benzonitrile

W0M

W0M
Name:	(2R)-2-(4-chlorophenoxy)propanamide
Formula:	C9 H10 Cl N O2
SMILES:	c1cc(ccc1Cl)OC(C(=O)N)C
InChi:	InChI=1S/C9H10ClNO2/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H2,11,12)/t6-/m1/s1
Definition date:	2020-09-24
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	(2R)-2-(4-chlorophenoxy)propanamide

RUZ

RUZ
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]sulfamate
Formula:	C16 H23 N5 O9 S
SMILES:	N[CH](CO)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3cc(CO)cc(N)c23
InChi:	InChI=1S/C16H23N5O9S/c17-8-1-7(3-22)2-10-12(8)21(6-19-10)16-14(25)13(24)11(30-16)5-29-31(27,28)20-15(26)9(18)4-23/h1-2,6,9,11,13-14,16,22-25H,3-5,17-18H2,(H,20,26)/t9-,11+,13+,14+,16+/m0/s1
Synonyms:	SerS7HMDDA
Definition date:	2020-10-21
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]sulfamate

WJ4

WJ4
Name:	4-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]morpholine
Formula:	C7 H10 Cl N3 O S
SMILES:	n1c(c(Cl)sn1)CN2CCOCC2
InChi:	InChI=1S/C7H10ClN3OS/c8-7-6(9-10-13-7)5-11-1-3-12-4-2-11/h1-5H2
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	4-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]morpholine

WJ7

WJ7
Name:	2-bromo-4-fluoro-N,N-dimethylbenzamide
Formula:	C9 H9 Br F N O
SMILES:	c1cc(cc(Br)c1C(N(C)C)=O)F
InChi:	InChI=1S/C9H9BrFNO/c1-12(2)9(13)7-4-3-6(11)5-8(7)10/h3-5H,1-2H3
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	2-bromo-4-fluoro-N,N-dimethylbenzamide

WJA

WJA
Name:	N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
Formula:	C6 H10 N2 O3 S
SMILES:	n1c(CS(NC)(=O)=O)cc(o1)C
InChi:	InChI=1S/C6H10N2O3S/c1-5-3-6(8-11-5)4-12(9,10)7-2/h3,7H,4H2,1-2H3
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

WJD

WJD
Name:	2-methoxy-N-phenylacetamide
Formula:	C9 H11 N O2
SMILES:	c1ccccc1NC(COC)=O
InChi:	InChI=1S/C9H11NO2/c1-12-7-9(11)10-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,11)
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	2-methoxy-N-phenylacetamide

WJG

WJG
Name:	(S)-1-(4-methoxyphenyl)-1-phenylmethanamine
Formula:	C14 H15 N O
SMILES:	c2(C(N)c1ccccc1)ccc(OC)cc2
InChi:	InChI=1S/C14H15NO/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-10,14H,15H2,1H3
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	(S)-1-(4-methoxyphenyl)-1-phenylmethanamine

WJJ

WJJ
Name:	(2R)-3-(4-bromophenyl)-2-methylpropanamide
Formula:	C10 H12 Br N O
SMILES:	c1cc(ccc1CC(C)C(N)=O)Br
InChi:	InChI=1S/C10H12BrNO/c1-7(10(12)13)6-8-2-4-9(11)5-3-8/h2-5,7H,6H2,1H3,(H2,12,13)/t7-/m1/s1
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	(2R)-3-(4-bromophenyl)-2-methylpropanamide

WJM

WJM
Name:	2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
Formula:	C11 H15 N3 O3
SMILES:	N1(CCN(CC1)C(=O)c2ccco2)CC(N)=O
InChi:	InChI=1S/C11H15N3O3/c12-10(15)8-13-3-5-14(6-4-13)11(16)9-2-1-7-17-9/h1-2,7H,3-6,8H2,(H2,12,15)
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide

WJS

WJS
Name:	(2~{S})-2-$l^{4}-azanyl-3-[[(2~{R})-3-octadecanoyloxy-2-oxidanyl-propoxy]-oxidanyl-oxidanylidene-$l^{6}-phosphanyl]oxy-propanoic acid
Formula:	C24 H20 N O9 P
SMILES:	[C][C][C][C][C][C][C][C][CH][CH][CH][CH][CH][C][C][C][C]C(=O)OC[CH](O)CO[PH](O)(=O)OC[CH]([NH3])C(O)=O
InChi:	InChI=1S/C24H50NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)32-18-21(26)19-33-35(30,31)34-20-22(25)24(28)29/h21-22,26,35H,2-20H2,1,25H3,(H,28,29)(H,30,31)/t21-,22+/m1/s1
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	(2~{S})-2-$l^{4}-azanyl-3-[[(2~{R})-3-octadecanoyloxy-2-oxidanyl-propoxy]-oxidanyl-oxidanylidene-$l^{6}-phosphanyl]oxy-propanoic acid

WK4

WK4
Name:	2-(1H-imidazol-1-yl)ethyl dimethylcarbamate
Formula:	C8 H13 N3 O2
SMILES:	c1cncn1CCOC(=O)N(C)C
InChi:	InChI=1S/C8H13N3O2/c1-10(2)8(12)13-6-5-11-4-3-9-7-11/h3-4,7H,5-6H2,1-2H3
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	2-(1H-imidazol-1-yl)ethyl dimethylcarbamate

WK7

WK7
Name:	3-fluoro-4-(piperazin-1-yl)benzonitrile
Formula:	C11 H12 F N3
SMILES:	C2N(c1c(F)cc(C#N)cc1)CCNC2
InChi:	InChI=1S/C11H12FN3/c12-10-7-9(8-13)1-2-11(10)15-5-3-14-4-6-15/h1-2,7,14H,3-6H2
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	3-fluoro-4-(piperazin-1-yl)benzonitrile

WKA

WKA
Name:	N-(2,1,3-benzoxadiazol-4-yl)acetamide
Formula:	C8 H7 N3 O2
SMILES:	n2c1c(NC(C)=O)cccc1no2
InChi:	InChI=1S/C8H7N3O2/c1-5(12)9-6-3-2-4-7-8(6)11-13-10-7/h2-4H,1H3,(H,9,12)
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	N-(2,1,3-benzoxadiazol-4-yl)acetamide

WKD

WKD
Name:	(2R)-2-(4-cyanophenoxy)propanamide
Formula:	C10 H10 N2 O2
SMILES:	c1cc(OC(C)C(N)=O)ccc1C#N
InChi:	InChI=1S/C10H10N2O2/c1-7(10(12)13)14-9-4-2-8(6-11)3-5-9/h2-5,7H,1H3,(H2,12,13)/t7-/m1/s1
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	(2R)-2-(4-cyanophenoxy)propanamide

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