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QTG

QTG
Name:	4-fluoro-2-methyl-N-propylbenzene-1-sulfonamide
Formula:	C10 H14 F N O2 S
SMILES:	c1c(c(cc(c1)F)C)S(NCCC)(=O)=O
InChi:	InChI=1S/C10H14FNO2S/c1-3-6-12-15(13,14)10-5-4-9(11)7-8(10)2/h4-5,7,12H,3,6H2,1-2H3
Definition date:	2019-12-18
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	4-fluoro-2-methyl-N-propylbenzene-1-sulfonamide

QTJ

QTJ
Name:	4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide
Formula:	C12 H9 Cl F N O3 S
SMILES:	NS(c1ccc(cc1)Oc2cc(c(cc2)F)Cl)(=O)=O
InChi:	InChI=1S/C12H9ClFNO3S/c13-11-7-9(3-6-12(11)14)18-8-1-4-10(5-2-8)19(15,16)17/h1-7H,(H2,15,16,17)
Definition date:	2019-12-18
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide

QTM

QTM
Name:	3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide
Formula:	C14 H14 Cl F N2 O3 S
SMILES:	NCCc1cc(S(N)(=O)=O)ccc1Oc2ccc(c(Cl)c2)F
InChi:	InChI=1S/C14H14ClFN2O3S/c15-12-8-10(1-3-13(12)16)21-14-4-2-11(22(18,19)20)7-9(14)5-6-17/h1-4,7-8H,5-6,17H2,(H2,18,19,20)
Definition date:	2019-12-18
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide

QTS

QTS
Name:	1-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine
Formula:	C14 H12 Cl N3
SMILES:	n3c1c(cccc1)n(Cc2ccc(cc2)Cl)c3N
InChi:	InChI=1S/C14H12ClN3/c15-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)17-14(18)16/h1-8H,9H2,(H2,16,17)
Definition date:	2019-12-18
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	1-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine

QTV

QTV
Name:	1-[(4-fluorophenyl)methyl]-2-methyl-4-nitro-1H-imidazole
Formula:	C11 H10 F N3 O2
SMILES:	n2c(cn(Cc1ccc(cc1)F)c2C)[N+]([O-])=O
InChi:	InChI=1S/C11H10FN3O2/c1-8-13-11(15(16)17)7-14(8)6-9-2-4-10(12)5-3-9/h2-5,7H,6H2,1H3
Definition date:	2019-12-18
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	1-[(4-fluorophenyl)methyl]-2-methyl-4-nitro-1H-imidazole

N6H

N6H
Name:	[2-[(3-chlorophenyl)methylamino]-7-methoxy-1,3-benzoxazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone
Formula:	C22 H24 Cl N3 O4
SMILES:	COc1cc(cc2nc(NCc3cccc(Cl)c3)oc12)C(=O)N4CCOC(C)(C)C4
InChi:	InChI=1S/C22H24ClN3O4/c1-22(2)13-26(7-8-29-22)20(27)15-10-17-19(18(11-15)28-3)30-21(25-17)24-12-14-5-4-6-16(23)9-14/h4-6,9-11H,7-8,12-13H2,1-3H3,(H,24,25)
Definition date:	2019-11-14
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	[2-[(3-chlorophenyl)methylamino]-7-methoxy-1,3-benzoxazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone

V9G

V9G
Name:	7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-(2'-O-METHYL)-ADENOSINE
Formula:	C22 H32 N10 O17 P3
SMILES:	CO[CH]1[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)[n]3cn(C)c4C(=O)NC(=Nc34)N)O[CH]1n5cnc6c(N)ncnc56
InChi:	InChI=1S/C22H32N10O17P3/c1-30-7-32(18-11(30)19(36)29-22(24)28-18)20-14(35)12(33)8(46-20)3-44-50(37,38)48-52(41,42)49-51(39,40)45-4-9-13(34)15(43-2)21(47-9)31-6-27-10-16(23)25-5-26-17(10)31/h5-9,12-15,20-21,33-35H,3-4H2,1-2H3,(H,37,38)(H,39,40)(H,41,42)(H2,23,25,26)(H3,24,28,29,36)/t8-,9-,12-,13-,14-,15-,20-,21-/m1/s1
Definition date:	2020-07-21
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate

N8Q

N8Q
Name:	4-[[(2~{S})-oxolan-2-yl]methyl]-3-pyridin-3-yl-1~{H}-1,2,4-triazole-5-thione
Formula:	C12 H14 N4 O S
SMILES:	S=C1NN=C(N1C[CH]2CCCO2)c3cccnc3
InChi:	InChI=1S/C12H14N4OS/c18-12-15-14-11(9-3-1-5-13-7-9)16(12)8-10-4-2-6-17-10/h1,3,5,7,10H,2,4,6,8H2,(H,15,18)/t10-/m0/s1
Definition date:	2019-11-15
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	4-[[(2~{S})-oxolan-2-yl]methyl]-3-pyridin-3-yl-1~{H}-1,2,4-triazole-5-thione

QMT

QMT
Name:	2-[6-azanyl-5-[(3~{R})-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol
Formula:	C21 H22 N4 O2
SMILES:	Nc1nnc(cc1N2CCC[CH](C2)Oc3ccccc3)c4ccccc4O
InChi:	InChI=1S/C21H22N4O2/c22-21-19(13-18(23-24-21)17-10-4-5-11-20(17)26)25-12-6-9-16(14-25)27-15-7-2-1-3-8-15/h1-5,7-8,10-11,13,16,26H,6,9,12,14H2,(H2,22,24)/t16-/m1/s1
Synonyms:	MW278
Definition date:	2020-07-06
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	2-[6-azanyl-5-[(3~{R})-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol

QMW

QMW
Name:	1-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol
Formula:	C15 H18 N4 O2
SMILES:	Nc1nnc(cc1N2CCC(O)CC2)c3ccccc3O
InChi:	InChI=1S/C15H18N4O2/c16-15-13(19-7-5-10(20)6-8-19)9-12(17-18-15)11-3-1-2-4-14(11)21/h1-4,9-10,20-21H,5-8H2,(H2,16,18)
Synonyms:	DP28
Definition date:	2020-07-06
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	1-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol

88B

88B
Name:	4-diazanyl-4-oxidanylidene-butanoic acid
Formula:	C4 H8 N2 O3
SMILES:	NNC(=O)CCC(O)=O
InChi:	InChI=1S/C4H8N2O3/c5-6-3(7)1-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)
Definition date:	2019-07-25
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	4-diazanyl-4-oxidanylidene-butanoic acid

FFR

FFR
Name:	2-[[4-[6-[(4-cyano-2-fluoranyl-phenyl)methoxy]pyridin-2-yl]-3,6-dihydro-2~{H}-pyridin-1-yl]methyl]-3-[[(2~{S})-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid
Formula:	C30 H27 F N6 O4
SMILES:	OC(=O)c1ccc2nc(CN3CCC(=CC3)c4cccc(OCc5ccc(cc5F)C#N)n4)n(C[CH]6CCO6)c2n1
InChi:	InChI=1S/C30H27FN6O4/c31-23-14-19(15-32)4-5-21(23)18-41-28-3-1-2-24(34-28)20-8-11-36(12-9-20)17-27-33-25-6-7-26(30(38)39)35-29(25)37(27)16-22-10-13-40-22/h1-8,14,22H,9-13,16-18H2,(H,38,39)/t22-/m0/s1
Definition date:	2020-05-11
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	2-[[4-[6-[(4-cyano-2-fluoranyl-phenyl)methoxy]pyridin-2-yl]-3,6-dihydro-2~{H}-pyridin-1-yl]methyl]-3-[[(2~{S})-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid

E4U

E4U
Name:	[(1~{R})-1-[[(2~{S})-2-[[2,5-bis(chloranyl)phenyl]carbonylamino]-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-methyl-butyl]boronic acid
Formula:	C23 H26 B Cl2 N3 O4
SMILES:	CC(C)C[CH](NC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)c3cc(Cl)ccc3Cl)B(O)O
InChi:	InChI=1S/C23H26BCl2N3O4/c1-13(2)9-21(24(32)33)29-23(31)20(10-14-12-27-19-6-4-3-5-16(14)19)28-22(30)17-11-15(25)7-8-18(17)26/h3-8,11-13,20-21,27,32-33H,9-10H2,1-2H3,(H,28,30)(H,29,31)/t20-,21-/m0/s1
Definition date:	2019-10-16
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	[(1~{R})-1-[[(2~{S})-2-[[2,5-bis(chloranyl)phenyl]carbonylamino]-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-methyl-butyl]boronic acid

E5Z

E5Z
Name:	~{N}-[3-[(~{E})-2-(1~{H}-imidazol-5-yl)ethylideneamino]-3-oxidanylidene-propyl]-4-sulfamoyl-benzamide
Formula:	C15 H17 N5 O4 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)C(=O)NCCC(=O)N=CCc2[nH]cnc2
InChi:	InChI=1S/C15H17N5O4S/c16-25(23,24)13-3-1-11(2-4-13)15(22)19-8-6-14(21)18-7-5-12-9-17-10-20-12/h1-4,7,9-10H,5-6,8H2,(H,17,20)(H,19,22)(H2,16,23,24)/b18-7+
Definition date:	2018-02-20
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	~{N}-[3-[(~{E})-2-(1~{H}-imidazol-5-yl)ethylideneamino]-3-oxidanylidene-propyl]-4-sulfamoyl-benzamide

E68

E68
Name:	~{N}-[2-[2-(1~{H}-imidazol-4-yl)ethylamino]-2-oxidanylidene-ethyl]-4-sulfamoyl-benzamide
Formula:	C14 H17 N5 O4 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)C(=O)NCC(=O)NCCc2c[nH]cn2
InChi:	InChI=1S/C14H17N5O4S/c15-24(22,23)12-3-1-10(2-4-12)14(21)18-8-13(20)17-6-5-11-7-16-9-19-11/h1-4,7,9H,5-6,8H2,(H,16,19)(H,17,20)(H,18,21)(H2,15,22,23)
Definition date:	2018-02-20
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	~{N}-[2-[2-(1~{H}-imidazol-4-yl)ethylamino]-2-oxidanylidene-ethyl]-4-sulfamoyl-benzamide

E6B

E6B
Name:	~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]-4-sulfamoyl-benzamide
Formula:	C12 H14 N4 O3 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)C(=O)NCCc2c[nH]cn2
InChi:	InChI=1S/C12H14N4O3S/c13-20(18,19)11-3-1-9(2-4-11)12(17)15-6-5-10-7-14-8-16-10/h1-4,7-8H,5-6H2,(H,14,16)(H,15,17)(H2,13,18,19)
Definition date:	2018-02-20
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]-4-sulfamoyl-benzamide

F4U

F4U
Name:	2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-5-oxidanyl-isoindole-1,3-dione
Formula:	C13 H10 N2 O5
SMILES:	Oc1ccc2C(=O)N([CH]3CCC(=O)NC3=O)C(=O)c2c1
InChi:	InChI=1S/C13H10N2O5/c16-6-1-2-7-8(5-6)13(20)15(12(7)19)9-3-4-10(17)14-11(9)18/h1-2,5,9,16H,3-4H2,(H,14,17,18)/t9-/m0/s1
Definition date:	2020-03-26
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-5-oxidanyl-isoindole-1,3-dione

F66

F66
Name:	2-(2-methyl-1H-indol-3-yl)ethanamine
Formula:	C11 H14 N2
SMILES:	Cc1[nH]c2ccccc2c1CCN
InChi:	InChI=1S/C11H14N2/c1-8-9(6-7-12)10-4-2-3-5-11(10)13-8/h2-5,13H,6-7,12H2,1H3
Synonyms:	2-Methyltryptamine
Definition date:	2020-04-01
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	2-(2-methyl-1~{H}-indol-3-yl)ethanamine

L4Z

L4Z
Name:	(2,5-dimethylpyrazol-3-yl)methylcarbamic acid
Formula:	C7 H11 N3 O2
SMILES:	Cn1nc(C)cc1CNC(O)=O
InChi:	InChI=1S/C7H11N3O2/c1-5-3-6(10(2)9-5)4-8-7(11)12/h3,8H,4H2,1-2H3,(H,11,12)
Definition date:	2019-07-22
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	(2,5-dimethylpyrazol-3-yl)methylcarbamic acid

L5Q

L5Q
Name:	5-methyl-~{N}-[2,2,2-tris(fluoranyl)ethyl]-1,2-oxazole-3-carboxamide
Formula:	C7 H7 F3 N2 O2
SMILES:	Cc1onc(c1)C(=O)NCC(F)(F)F
InChi:	InChI=1S/C7H7F3N2O2/c1-4-2-5(12-14-4)6(13)11-3-7(8,9)10/h2H,3H2,1H3,(H,11,13)
Definition date:	2019-07-23
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	5-methyl-~{N}-[2,2,2-tris(fluoranyl)ethyl]-1,2-oxazole-3-carboxamide

L5W

L5W
Name:	~{N}-oxidanylbicyclo[2.2.1]heptane-1-carboxamide
Formula:	C8 H13 N O2
SMILES:	ONC(=O)C12CCC(CC1)C2
InChi:	InChI=1S/C8H13NO2/c10-7(9-11)8-3-1-6(5-8)2-4-8/h6,11H,1-5H2,(H,9,10)/t6-,8-
Definition date:	2019-07-23
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	~{N}-oxidanylbicyclo[2.2.1]heptane-1-carboxamide

L7H

L7H
Name:	~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-7-methoxy-2-methyl-6-[(3~{S})-oxolan-3-yl]oxy-quinazolin-4-amine
Formula:	C23 H25 F3 N4 O3
SMILES:	COc1cc2nc(C)nc(N[CH](C)c3cc(N)cc(c3)C(F)(F)F)c2cc1O[CH]4CCOC4
InChi:	InChI=1S/C23H25F3N4O3/c1-12(14-6-15(23(24,25)26)8-16(27)7-14)28-22-18-9-21(33-17-4-5-32-11-17)20(31-3)10-19(18)29-13(2)30-22/h6-10,12,17H,4-5,11,27H2,1-3H3,(H,28,29,30)/t12-,17+/m1/s1
Definition date:	2019-07-24
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-7-methoxy-2-methyl-6-[(3~{S})-oxolan-3-yl]oxy-quinazolin-4-amine

L7K

L7K
Name:	[(~{R})-cyclohexyl-[1-(2-phenylethyl)-1,2,3,4-tetrazol-5-yl]methyl]diazane
Formula:	C16 H24 N6
SMILES:	NN[CH](C1CCCCC1)c2nnnn2CCc3ccccc3
InChi:	InChI=1S/C16H24N6/c17-18-15(14-9-5-2-6-10-14)16-19-20-21-22(16)12-11-13-7-3-1-4-8-13/h1,3-4,7-8,14-15,18H,2,5-6,9-12,17H2/t15-/m1/s1
Definition date:	2019-07-25
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	[(~{R})-cyclohexyl-[1-(2-phenylethyl)-1,2,3,4-tetrazol-5-yl]methyl]diazane

L9B

L9B
Name:	4-(4-oxidanylbutyl)benzenesulfonamide
Formula:	C10 H15 N O3 S
SMILES:	N[S](=O)(=O)c1ccc(CCCCO)cc1
InChi:	InChI=1S/C10H15NO3S/c11-15(13,14)10-6-4-9(5-7-10)3-1-2-8-12/h4-7,12H,1-3,8H2,(H2,11,13,14)
Definition date:	2019-07-30
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	4-(4-oxidanylbutyl)benzenesulfonamide

LBK

LBK
Name:	6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine
Formula:	C18 H19 N3 O2
SMILES:	COc1cc2ncnc(N[CH](C)c3ccccc3)c2cc1OC
InChi:	InChI=1S/C18H19N3O2/c1-12(13-7-5-4-6-8-13)21-18-14-9-16(22-2)17(23-3)10-15(14)19-11-20-18/h4-12H,1-3H3,(H,19,20,21)/t12-/m1/s1
Definition date:	2019-08-02
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine

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