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SWQ

SWQ
Name:	6-(3-methylsulfanylphenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one
Formula:	C12 H10 N4 O S2
SMILES:	CSc1cccc(SC2=NN3C(=O)NN=C3C=C2)c1
InChi:	InChI=1S/C12H10N4OS2/c1-18-8-3-2-4-9(7-8)19-11-6-5-10-13-14-12(17)16(10)15-11/h2-7H,1H3,(H,14,17)
Definition date:	2020-12-02
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	6-(3-methylsulfanylphenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one

SWT

SWT
Name:	6-(4-methylphenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one
Formula:	C12 H10 N4 O S
SMILES:	Cc1ccc(SC2=NN3C(=O)NN=C3C=C2)cc1
InChi:	InChI=1S/C12H10N4OS/c1-8-2-4-9(5-3-8)18-11-7-6-10-13-14-12(17)16(10)15-11/h2-7H,1H3,(H,14,17)
Definition date:	2020-12-02
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	6-(4-methylphenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one

SXQ

SXQ
Name:	3-(3,4-dichlorophenyl)sulfanyl-1$l^{4},2,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4,7-tetraen-9-one
Formula:	C11 H6 Cl2 N4 O S
SMILES:	Clc1ccc(SC2=NN3C(=O)NN=C3C=C2)cc1Cl
InChi:	InChI=1S/C11H6Cl2N4OS/c12-7-2-1-6(5-8(7)13)19-10-4-3-9-14-15-11(18)17(9)16-10/h1-5H,(H,15,18)
Definition date:	2020-12-03
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	6-(3,4-dichlorophenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one

T0B

T0B
Name:	[(4~{a}~{R},8~{a}~{S})-4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-2,3,4~{a},5,6,7,8,8~{a}-octahydroquinoxalin-1-yl]-(furan-2-yl)methanone
Formula:	C23 H27 N5 O4
SMILES:	COc1cc2nc(nc(N)c2cc1OC)N3CCN([CH]4CCCC[CH]34)C(=O)c5occc5
InChi:	InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)/t16-,17+/m0/s1
Definition date:	2020-12-08
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	[(4~{a}~{R},8~{a}~{S})-4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-2,3,4~{a},5,6,7,8,8~{a}-octahydroquinoxalin-1-yl]-(furan-2-yl)methanone

T1W

T1W
Name:	[(2~{S})-2-methylpiperidin-1-yl]-morpholin-4-yl-methanone
Formula:	C11 H20 N2 O2
SMILES:	C[CH]1CCCCN1C(=O)N2CCOCC2
InChi:	InChI=1S/C11H20N2O2/c1-10-4-2-3-5-13(10)11(14)12-6-8-15-9-7-12/h10H,2-9H2,1H3/t10-/m0/s1
Definition date:	2020-12-13
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	[(2~{S})-2-methylpiperidin-1-yl]-morpholin-4-yl-methanone

T1Z

T1Z
Name:	[1-(3,4-dichlorophenyl)-1,2,3-triazol-4-yl]methanol
Formula:	C9 H7 Cl2 N3 O
SMILES:	OCc1cn(nn1)c2ccc(Cl)c(Cl)c2
InChi:	InChI=1S/C9H7Cl2N3O/c10-8-2-1-7(3-9(8)11)14-4-6(5-15)12-13-14/h1-4,15H,5H2
Definition date:	2020-12-13
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	[1-(3,4-dichlorophenyl)-1,2,3-triazol-4-yl]methanol

T2E

T2E
Name:	5-azanyl-2-(pyridin-3-ylmethylamino)benzoic acid
Formula:	C13 H13 N3 O2
SMILES:	Nc1ccc(NCc2cccnc2)c(c1)C(O)=O
InChi:	InChI=1S/C13H13N3O2/c14-10-3-4-12(11(6-10)13(17)18)16-8-9-2-1-5-15-7-9/h1-7,16H,8,14H2,(H,17,18)
Definition date:	2020-12-13
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	5-azanyl-2-(pyridin-3-ylmethylamino)benzoic acid

T2H

T2H
Name:	5-(3-ethoxyphenyl)-1,3,4-thiadiazol-2-amine
Formula:	C10 H11 N3 O S
SMILES:	CCOc1cccc(c1)c2sc(N)nn2
InChi:	InChI=1S/C10H11N3OS/c1-2-14-8-5-3-4-7(6-8)9-12-13-10(11)15-9/h3-6H,2H2,1H3,(H2,11,13)
Definition date:	2020-12-13
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	5-(3-ethoxyphenyl)-1,3,4-thiadiazol-2-amine

T3N

T3N
Name:	2-(4-acetamidophenoxy)ethanoic acid
Formula:	C10 H11 N O4
SMILES:	CC(=O)Nc1ccc(OCC(O)=O)cc1
InChi:	InChI=1S/C10H11NO4/c1-7(12)11-8-2-4-9(5-3-8)15-6-10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)
Definition date:	2020-12-14
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	2-(4-acetamidophenoxy)ethanoic acid

T3T

T3T
Name:	1-(1,3-benzodioxol-5-yl)-~{N}-(pyridin-2-ylmethyl)methanamine
Formula:	C14 H14 N2 O2
SMILES:	C1Oc2ccc(CNCc3ccccn3)cc2O1
InChi:	InChI=1S/C14H14N2O2/c1-2-6-16-12(3-1)9-15-8-11-4-5-13-14(7-11)18-10-17-13/h1-7,15H,8-10H2
Definition date:	2020-12-14
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	1-(1,3-benzodioxol-5-yl)-~{N}-(pyridin-2-ylmethyl)methanamine

6IU

6IU
Name:	N-(2-acetamidoethyl)-2-nitro-ethanamide
Formula:	C6 H11 N3 O4
SMILES:	CC(=O)NCCNC(=O)C[N+]([O-])=O
InChi:	InChI=1S/C6H11N3O4/c1-5(10)7-2-3-8-6(11)4-9(12)13/h2-4H2,1H3,(H,7,10)(H,8,11)
Definition date:	2021-09-17
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	~{N}-(2-acetamidoethyl)-2-nitro-ethanamide

VX8

VX8
Name:	Lumacaftor
Formula:	C24 H18 F2 N2 O5
SMILES:	O=C(O)c1cccc(c1)c1nc(ccc1C)NC(=O)C1(CC1)c1ccc2OC(F)(F)Oc2c1
InChi:	InChI=1S/C24H18F2N2O5/c1-13-5-8-19(27-20(13)14-3-2-4-15(11-14)21(29)30)28-22(31)23(9-10-23)16-6-7-17-18(12-16)33-24(25,26)32-17/h2-8,11-12H,9-10H2,1H3,(H,29,30)(H,27,28,31)
Synonyms:	3-(6-{[1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl]amino}-3-methylpyridin-2-yl)benzoic acid
Definition date:	2021-11-20
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	3-(6-{[1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl]amino}-3-methylpyridin-2-yl)benzoic acid

T52

T52
Name:	N-{6-[3-(4-Aminobutoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzene-1-sulfonamide
Formula:	C30 H39 N4 O8 S
SMILES:	CCCOc1cc(OCCCC[NH3+])cc(Oc2cc3N(C)C(=O)N(C)c3cc2N[S](=O)(=O)c4ccc(OC)c(OC)c4)c1
InChi:	InChI=1S/C30H38N4O8S/c1-6-12-40-20-14-21(41-13-8-7-11-31)16-22(15-20)42-28-19-26-25(33(2)30(35)34(26)3)18-24(28)32-43(36,37)23-9-10-27(38-4)29(17-23)39-5/h9-10,14-19,32H,6-8,11-13,31H2,1-5H3/p+1
Synonyms:	~{N}-[6-[3-(4-azanylbutoxy)-5-propoxy-phenoxy]-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl]-3,4-dimethoxy-benzenesulfonamide
Definition date:	2020-12-15
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	4-[3-[6-[(3,4-dimethoxyphenyl)sulfonylamino]-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl]oxy-5-propoxy-phenoxy]butylazanium

T7W

T7W
Name:	(R)-3,3-dimethyl-5-oxo-5-(6-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)pentanoic acid
Formula:	C20 H22 N6 O4
SMILES:	CC(C)(CC(O)=O)CC(=O)N1Cc2nc[nH]c2C[CH]1c3onc(n3)c4ccncc4
InChi:	InChI=1S/C20H22N6O4/c1-20(2,9-17(28)29)8-16(27)26-10-14-13(22-11-23-14)7-15(26)19-24-18(25-30-19)12-3-5-21-6-4-12/h3-6,11,15H,7-10H2,1-2H3,(H,22,23)(H,28,29)/t15-/m1/s1
Synonyms:	3,3-dimethyl-5-oxidanylidene-5-[(6~{R})-6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pentanoic acid
Definition date:	2020-12-17
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	3,3-dimethyl-5-oxidanylidene-5-[(6~{R})-6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pentanoic acid

T82

T82
Name:	(S,E)-3-(2-(3-bromo-4-hydroxybenzylidene)hydrazineyl)-2-(3-chlorophenyl)-3-oxopropan-1-aminium
Formula:	C16 H15 Br Cl N3 O2
SMILES:	NC[CH](C(=O)NN=Cc1ccc(O)c(Br)c1)c2cccc(Cl)c2
InChi:	InChI=1S/C16H15BrClN3O2/c17-14-6-10(4-5-15(14)22)9-20-21-16(23)13(8-19)11-2-1-3-12(18)7-11/h1-7,9,13,22H,8,19H2,(H,21,23)/b20-9+/t13-/m1/s1
Synonyms:	(2~{S})-3-azanyl-~{N}-[(~{E})-(3-bromanyl-4-oxidanyl-phenyl)methylideneamino]-2-(3-chlorophenyl)propanamide
Definition date:	2020-12-17
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	(2~{S})-3-azanyl-~{N}-[(~{E})-(3-bromanyl-4-oxidanyl-phenyl)methylideneamino]-2-(3-chlorophenyl)propanamide

T9B

T9B
Name:	(2S)-N-(4-Methoxybenzyl)tetrahydrofuran-2-carboxamide
Formula:	C13 H17 N O3
SMILES:	COc1ccc(CNC(=O)[CH]2CCCO2)cc1
InChi:	InChI=1S/C13H17NO3/c1-16-11-6-4-10(5-7-11)9-14-13(15)12-3-2-8-17-12/h4-7,12H,2-3,8-9H2,1H3,(H,14,15)/t12-/m0/s1
Synonyms:	(2~{S})-~{N}-[(4-methoxyphenyl)methyl]oxolane-2-carboxamide
Definition date:	2020-12-20
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	(2~{S})-~{N}-[(4-methoxyphenyl)methyl]oxolane-2-carboxamide

T9K

T9K
Name:	methyl 2-(4-cyanophenoxy)ethanoate
Formula:	C10 H9 N O3
SMILES:	COC(=O)COc1ccc(cc1)C#N
InChi:	InChI=1S/C10H9NO3/c1-13-10(12)7-14-9-4-2-8(6-11)3-5-9/h2-5H,7H2,1H3
Synonyms:	methyl 2-(4-cyanophenoxy)acetate
Definition date:	2020-12-20
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	methyl 2-(4-cyanophenoxy)ethanoate

T9Q

T9Q
Name:	N-Benzyl-2-methoxyacetamide
Formula:	C10 H13 N O2
SMILES:	COCC(=O)NCc1ccccc1
InChi:	InChI=1S/C10H13NO2/c1-13-8-10(12)11-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12)
Synonyms:	2-methoxy-~{N}-(phenylmethyl)ethanamide
Definition date:	2020-12-20
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	2-methoxy-~{N}-(phenylmethyl)ethanamide

T9W

T9W
Name:	2-[4-(2,5-Dioxopyrrolidin-1-yl)phenoxy]acetate
Formula:	C12 H10 N O5
SMILES:	[O-]C(=O)COc1ccc(cc1)N2C(=O)CCC2=O
InChi:	InChI=1S/C12H11NO5/c14-10-5-6-11(15)13(10)8-1-3-9(4-2-8)18-7-12(16)17/h1-4H,5-7H2,(H,16,17)/p-1
Synonyms:	2-[4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]phenoxy]ethanoic acid
Definition date:	2020-12-20
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	2-[4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]phenoxy]ethanoate

T9Z

T9Z
Name:	2-(morpholin-4-ium-4-ylmethyl)naphthalen-1-ol
Formula:	C15 H18 N O2
SMILES:	Oc1c(C[NH+]2CCOCC2)ccc3ccccc13
InChi:	InChI=1S/C15H17NO2/c17-15-13(11-16-7-9-18-10-8-16)6-5-12-3-1-2-4-14(12)15/h1-6,17H,7-11H2/p+1
Definition date:	2020-12-20
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	2-(morpholin-4-ium-4-ylmethyl)naphthalen-1-ol

TAH

TAH
Name:	2-(benzyloxy)benzohydrazide
Formula:	C14 H14 N2 O2
SMILES:	NNC(=O)c1ccccc1OCc2ccccc2
InChi:	InChI=1S/C14H14N2O2/c15-16-14(17)12-8-4-5-9-13(12)18-10-11-6-2-1-3-7-11/h1-9H,10,15H2,(H,16,17)
Synonyms:	2-phenylmethoxybenzohydrazide
Definition date:	2020-12-20
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	2-phenylmethoxybenzohydrazide

TB5

TB5
Name:	4-(4-pyrrol-1-ylphenyl)morpholine
Formula:	C14 H16 N2 O
SMILES:	C1CN(CCO1)c2ccc(cc2)n3cccc3
InChi:	InChI=1S/C14H16N2O/c1-2-8-15(7-1)13-3-5-14(6-4-13)16-9-11-17-12-10-16/h1-8H,9-12H2
Synonyms:	4-[4-(1H-pyrrol-1-yl)phenyl]morpholine
Definition date:	2020-12-20
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	4-(4-pyrrol-1-ylphenyl)morpholine

TE5

TE5
Name:	4-methoxy-6-phenyl-pyrimidin-2-amine
Formula:	C11 H11 N3 O
SMILES:	COc1cc(nc(N)n1)c2ccccc2
InChi:	InChI=1S/C11H11N3O/c1-15-10-7-9(13-11(12)14-10)8-5-3-2-4-6-8/h2-7H,1H3,(H2,12,13,14)
Synonyms:	4-methoxy-6-phenylpyrimidin-2-ylamine
Definition date:	2020-12-21
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	4-methoxy-6-phenyl-pyrimidin-2-amine

TE8

TE8
Name:	(2~{R})-2-(4-phenylphenoxy)propanoic acid
Formula:	C15 H14 O3
SMILES:	C[CH](Oc1ccc(cc1)c2ccccc2)C(O)=O
InChi:	InChI=1S/C15H14O3/c1-11(15(16)17)18-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,16,17)/t11-/m1/s1
Definition date:	2020-12-21
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	(2~{R})-2-(4-phenylphenoxy)propanoic acid

TEH

TEH
Name:	4-(2-phenoxyethanoyl)piperazin-2-one
Formula:	C12 H14 N2 O3
SMILES:	O=C1CN(CCN1)C(=O)COc2ccccc2
InChi:	InChI=1S/C12H14N2O3/c15-11-8-14(7-6-13-11)12(16)9-17-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,15)
Definition date:	2020-12-21
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	4-(2-phenoxyethanoyl)piperazin-2-one

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