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DG4

DG4
Name:	phosphono (2S)-2-oxidanyl-3-phosphonooxy-propanoate
Formula:	C3 H8 O10 P2
SMILES:	O[CH](CO[P](O)(O)=O)C(=O)O[P](O)(O)=O
InChi:	InChI=1S/C3H8O10P2/c4-2(1-12-14(6,7)8)3(5)13-15(9,10)11/h2,4H,1H2,(H2,6,7,8)(H2,9,10,11)/t2-/m0/s1
Synonyms:	glycerate 1,3-biphosphate
Definition date:	2008-12-18
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	phosphono (2~{S})-2-oxidanyl-3-phosphonooxy-propanoate

RHH

RHH
Name:	4-[2-methyl-3-(2-pyridin-2-yloxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
Formula:	C19 H19 N7 O
SMILES:	Cc1nc2ccc(nc2n1CCOc3ccccn3)c4cc(N)nc(N)c4
InChi:	InChI=1S/C19H19N7O/c1-12-23-15-6-5-14(13-10-16(20)25-17(21)11-13)24-19(15)26(12)8-9-27-18-4-2-3-7-22-18/h2-7,10-11H,8-9H2,1H3,(H4,20,21,25)
Definition date:	2020-09-29
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	4-[2-methyl-3-(2-pyridin-2-yloxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

RHT

RHT
Name:	4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine
Formula:	C13 H13 N5
SMILES:	Cn1cnc2ccc(cc12)c3cc(N)nc(N)c3
InChi:	InChI=1S/C13H13N5/c1-18-7-16-10-3-2-8(4-11(10)18)9-5-12(14)17-13(15)6-9/h2-7H,1H3,(H4,14,15,17)
Definition date:	2020-09-30
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine

RHW

RHW
Name:	4-(1-benzofuran-5-yl)pyridine-2,6-diamine
Formula:	C13 H11 N3 O
SMILES:	Nc1cc(cc(N)n1)c2ccc3occc3c2
InChi:	InChI=1S/C13H11N3O/c14-12-6-10(7-13(15)16-12)8-1-2-11-9(5-8)3-4-17-11/h1-7H,(H4,14,15,16)
Definition date:	2020-09-30
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	4-(1-benzofuran-5-yl)pyridine-2,6-diamine

RHZ

RHZ
Name:	4-(4-chloranyl-3-methoxy-phenyl)pyridin-2-amine
Formula:	C12 H11 Cl N2 O
SMILES:	COc1cc(ccc1Cl)c2ccnc(N)c2
InChi:	InChI=1S/C12H11ClN2O/c1-16-11-6-8(2-3-10(11)13)9-4-5-15-12(14)7-9/h2-7H,1H3,(H2,14,15)
Definition date:	2020-09-30
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	4-(4-chloranyl-3-methoxy-phenyl)pyridin-2-amine

RJ2

RJ2
Name:	1-[4-(1-benzofuran-5-yl)pyridin-2-yl]piperazine
Formula:	C17 H17 N3 O
SMILES:	C1CN(CCN1)c2cc(ccn2)c3ccc4occc4c3
InChi:	InChI=1S/C17H17N3O/c1-2-16-15(4-10-21-16)11-13(1)14-3-5-19-17(12-14)20-8-6-18-7-9-20/h1-5,10-12,18H,6-9H2
Definition date:	2020-09-30
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	1-[4-(1-benzofuran-5-yl)pyridin-2-yl]piperazine

RJ5

RJ5
Name:	4-(4-methoxyphenyl)pyridin-2-amine
Formula:	C12 H12 N2 O
SMILES:	COc1ccc(cc1)c2ccnc(N)c2
InChi:	InChI=1S/C12H12N2O/c1-15-11-4-2-9(3-5-11)10-6-7-14-12(13)8-10/h2-8H,1H3,(H2,13,14)
Definition date:	2020-09-30
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	4-(4-methoxyphenyl)pyridin-2-amine

RJ8

RJ8
Name:	4-(1-benzofuran-5-yl)pyridin-2-amine
Formula:	C13 H10 N2 O
SMILES:	Nc1cc(ccn1)c2ccc3occc3c2
InChi:	InChI=1S/C13H10N2O/c14-13-8-10(3-5-15-13)9-1-2-12-11(7-9)4-6-16-12/h1-8H,(H2,14,15)
Definition date:	2020-09-30
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	4-(1-benzofuran-5-yl)pyridin-2-amine

RJZ

RJZ
Name:	4-[3-[2-(6-bromanylpyridin-2-yl)oxyethyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
Formula:	C19 H18 Br N7 O
SMILES:	Cc1nc2ccc(nc2n1CCOc3cccc(Br)n3)c4cc(N)nc(N)c4
InChi:	InChI=1S/C19H18BrN7O/c1-11-23-14-6-5-13(12-9-16(21)26-17(22)10-12)24-19(14)27(11)7-8-28-18-4-2-3-15(20)25-18/h2-6,9-10H,7-8H2,1H3,(H4,21,22,26)
Definition date:	2020-09-30
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	4-[3-[2-(6-bromanylpyridin-2-yl)oxyethyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

RK2

RK2
Name:	4-[2-methyl-3-[(2~{R})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
Formula:	C20 H21 N7 O
SMILES:	C[CH](Cn1c(C)nc2ccc(nc12)c3cc(N)nc(N)c3)Oc4ccccn4
InChi:	InChI=1S/C20H21N7O/c1-12(28-19-5-3-4-8-23-19)11-27-13(2)24-16-7-6-15(25-20(16)27)14-9-17(21)26-18(22)10-14/h3-10,12H,11H2,1-2H3,(H4,21,22,26)/t12-/m1/s1
Definition date:	2020-09-30
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	4-[2-methyl-3-[(2~{R})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

RK5

RK5
Name:	4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine
Formula:	C15 H15 N3 O
SMILES:	Cc1oc2ccc(cc2c1C)c3cc(N)nc(N)c3
InChi:	InChI=1S/C15H15N3O/c1-8-9(2)19-13-4-3-10(5-12(8)13)11-6-14(16)18-15(17)7-11/h3-7H,1-2H3,(H4,16,17,18)
Definition date:	2020-09-30
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine

RK8

RK8
Name:	4-[3-[(2~{S})-2-(6-bromanylpyridin-2-yl)oxypropyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
Formula:	C20 H20 Br N7 O
SMILES:	C[CH](Cn1c(C)nc2ccc(nc12)c3cc(N)nc(N)c3)Oc4cccc(Br)n4
InChi:	InChI=1S/C20H20BrN7O/c1-11(29-19-5-3-4-16(21)26-19)10-28-12(2)24-15-7-6-14(25-20(15)28)13-8-17(22)27-18(23)9-13/h3-9,11H,10H2,1-2H3,(H4,22,23,27)/t11-/m0/s1
Definition date:	2020-09-30
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	4-[3-[(2~{S})-2-(6-bromanylpyridin-2-yl)oxypropyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

RKH

RKH
Name:	4-(2-methyl-1-benzofuran-5-yl)pyridine-2,6-diamine
Formula:	C14 H13 N3 O
SMILES:	Cc1oc2ccc(cc2c1)c3cc(N)nc(N)c3
InChi:	InChI=1S/C14H13N3O/c1-8-4-11-5-9(2-3-12(11)18-8)10-6-13(15)17-14(16)7-10/h2-7H,1H3,(H4,15,16,17)
Definition date:	2020-10-01
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	4-(2-methyl-1-benzofuran-5-yl)pyridine-2,6-diamine

RKK

RKK
Name:	4-(2,3-dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine
Formula:	C19 H26 N6
SMILES:	CCCCn1c(CCCC)nc2ccc(nc12)c3cc(N)nc(N)c3
InChi:	InChI=1S/C19H26N6/c1-3-5-7-18-22-15-9-8-14(13-11-16(20)24-17(21)12-13)23-19(15)25(18)10-6-4-2/h8-9,11-12H,3-7,10H2,1-2H3,(H4,20,21,24)
Synonyms:	4-{2,3-dibutyl-3H-imidazo[4,5-b]pyridin-5-yl}pyridine-2,6-diamine
Definition date:	2020-10-01
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	4-(2,3-dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine

RKQ

RKQ
Name:	4-[2-methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
Formula:	C20 H20 N6 O
SMILES:	Cc1nc2ccc(nc2n1CCOc3ccccc3)c4cc(N)nc(N)c4
InChi:	InChI=1S/C20H20N6O/c1-13-23-17-8-7-16(14-11-18(21)25-19(22)12-14)24-20(17)26(13)9-10-27-15-5-3-2-4-6-15/h2-8,11-12H,9-10H2,1H3,(H4,21,22,25)
Definition date:	2020-10-01
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	4-[2-methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

RKW

RKW
Name:	~{N}-[6-azanyl-4-(1-benzofuran-5-yl)pyridin-2-yl]-2-(methylamino)ethanamide
Formula:	C16 H16 N4 O2
SMILES:	CNCC(=O)Nc1cc(cc(N)n1)c2ccc3occc3c2
InChi:	InChI=1S/C16H16N4O2/c1-18-9-16(21)20-15-8-12(7-14(17)19-15)10-2-3-13-11(6-10)4-5-22-13/h2-8,18H,9H2,1H3,(H3,17,19,20,21)
Definition date:	2020-10-01
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	~{N}-[6-azanyl-4-(1-benzofuran-5-yl)pyridin-2-yl]-2-(methylamino)ethanamide

RKZ

RKZ
Name:	4-[2-methyl-3-[(2~{R})-2-phenoxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
Formula:	C21 H22 N6 O
SMILES:	C[CH](Cn1c(C)nc2ccc(nc12)c3cc(N)nc(N)c3)Oc4ccccc4
InChi:	InChI=1S/C21H22N6O/c1-13(28-16-6-4-3-5-7-16)12-27-14(2)24-18-9-8-17(25-21(18)27)15-10-19(22)26-20(23)11-15/h3-11,13H,12H2,1-2H3,(H4,22,23,26)/t13-/m1/s1
Definition date:	2020-10-01
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	4-[2-methyl-3-[(2~{R})-2-phenoxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

RNZ

RNZ
Name:	2,2-dimethylpropyl-[(2~{R},3~{S})-3-(2,2-diphenylethanoylamino)-2-oxidanyl-4-phenyl-butyl]azanium
Formula:	C29 H37 N2 O2
SMILES:	CC(C)(C)C[NH2+]C[CH](O)[CH](Cc1ccccc1)NC(=O)C(c2ccccc2)c3ccccc3
InChi:	InChI=1S/C29H36N2O2/c1-29(2,3)21-30-20-26(32)25(19-22-13-7-4-8-14-22)31-28(33)27(23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,25-27,30,32H,19-21H2,1-3H3,(H,31,33)/p+1/t25-,26+/m0/s1
Definition date:	2020-10-14
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	2,2-dimethylpropyl-[(2~{R},3~{S})-3-(2,2-diphenylethanoylamino)-2-oxidanyl-4-phenyl-butyl]azanium

RYT

RYT
Name:	pentadecaphosphate
Formula:	H17 O46 P15
SMILES:	O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O
InChi:	InChI=1S/H17O46P15/c1-47(2,3)33-49(7,8)35-51(11,12)37-53(15,16)39-55(19,20)41-57(23,24)43-59(27,28)45-61(31,32)46-60(29,30)44-58(25,26)42-56(21,22)40-54(17,18)38-52(13,14)36-50(9,10)34-48(4,5)6/h(H,7,8)(H,9,10)(H,11,12)(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H2,1,2,3)(H2,4,5,6)
Synonyms:	bis[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl] hydrogen phosphate
Definition date:	2020-11-04
Last modified:	2021-05-20
Release date:	2021-05-19
Identifier:	bis[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl] hydrogen phosphate

UEJ

UEJ
Name:	N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-6-fluoro-3-hydroxybenzamide
Formula:	C33 H25 F N6 O5 S
SMILES:	c6ccc5C(=O)N(Cc4c(ccc(F)c4C(=O)Nc3cccc(c2c(c1cc(NC(C)=O)ncc1)nc(n2)SC)c3)O)C(c5c6)=O
InChi:	InChI=1S/C33H25FN6O5S/c1-17(41)36-26-15-19(12-13-35-26)29-28(38-33(39-29)46-2)18-6-5-7-20(14-18)37-30(43)27-23(25(42)11-10-24(27)34)16-40-31(44)21-8-3-4-9-22(21)32(40)45/h3-15,42H,16H2,1-2H3,(H,37,43)(H,38,39)(H,35,36,41)
Definition date:	2020-05-12
Last modified:	2021-05-14
Release date:	2021-05-19
Identifier:	N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-6-fluoro-3-hydroxybenzamide

VP7

VP7
Name:	4-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-2-methylbut-3-yn-2-ol
Formula:	C20 H20 N4 O
SMILES:	n1cc2c(nc1N)c3c(CCC2)nc4c3cc(C#CC(C)(C)O)cc4
InChi:	InChI=1S/C20H20N4O/c1-20(2,25)9-8-12-6-7-15-14(10-12)17-16(23-15)5-3-4-13-11-22-19(21)24-18(13)17/h6-7,10-11,23,25H,3-5H2,1-2H3,(H2,21,22,24)
Definition date:	2020-08-31
Last modified:	2021-05-14
Release date:	2021-05-19
Identifier:	4-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-2-methylbut-3-yn-2-ol

Y2A

Y2A
Name:	(2S)-2-hydroxy-2-[2-oxo-2-(phosphonooxy)ethyl]butanedioic acid
Formula:	C6 H9 O10 P
SMILES:	C(C(CC(=O)OP(O)(O)=O)(C(=O)O)O)C(O)=O
InChi:	InChI=1S/C6H9O10P/c7-3(8)1-6(12,5(10)11)2-4(9)16-17(13,14)15/h12H,1-2H2,(H,7,8)(H,10,11)(H2,13,14,15)/t6-/m0/s1
Definition date:	2021-01-28
Last modified:	2021-05-14
Release date:	2021-05-19
Identifier:	(2S)-2-hydroxy-2-[2-oxo-2-(phosphonooxy)ethyl]butanedioic acid

Z6P

Z6P
Name:	2-amino-N-cyclopropyl-5-(4-{[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino}-2-methylphenyl)pyridine-3-carboxamide
Formula:	C24 H22 F2 N4 O3
SMILES:	O=C(NC1CC1)c1cc(cnc1N)c1ccc(NC(=O)C(O)c2cc(F)cc(F)c2)cc1C
InChi:	InChI=1S/C24H22F2N4O3/c1-12-6-18(30-24(33)21(31)13-7-15(25)10-16(26)8-13)4-5-19(12)14-9-20(22(27)28-11-14)23(32)29-17-2-3-17/h4-11,17,21,31H,2-3H2,1H3,(H2,27,28)(H,29,32)(H,30,33)/t21-/m1/s1
Definition date:	2021-04-09
Last modified:	2021-05-14
Release date:	2021-05-19
Identifier:	2-amino-N-cyclopropyl-5-(4-{[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino}-2-methylphenyl)pyridine-3-carboxamide

UJ7

UJ7
Name:	(2S)-1-(N,3-dicyclohexyl-D-alanyl)-4-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(thiophen-2-yl)methyl]piperazine-2-carboxamide
Formula:	C35 H49 N5 O3 S
SMILES:	N2(CC(C(NCc1cccs1)=O)N(CC2)C(C(CC3CCCCC3)NC4CCCCC4)=O)C=6OC(c5ccccc5)C(C)N=6
InChi:	InChI=1S/C35H49N5O3S/c1-25-32(27-14-7-3-8-15-27)43-35(37-25)39-19-20-40(31(24-39)33(41)36-23-29-18-11-21-44-29)34(42)30(22-26-12-5-2-6-13-26)38-28-16-9-4-10-17-28/h3,7-8,11,14-15,18,21,25-26,28,30-32,38H,2,4-6,9-10,12-13,16-17,19-20,22-24H2,1H3,(H,36,41)/t25-,30-,31+,32-/m1/s1
Definition date:	2020-05-18
Last modified:	2021-05-14
Release date:	2021-05-19
Identifier:	(2S)-1-(N,3-dicyclohexyl-D-alanyl)-4-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(thiophen-2-yl)methyl]piperazine-2-carboxamide

VSY

VSY
Name:	(3S)-1-[1-(2-aminopyrimidin-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-methylpent-1-yn-3-ol
Formula:	C16 H16 N6 O
SMILES:	Nc3nccc(n2c1cc(C#CC(C)(O)CC)ncc1cn2)n3
InChi:	InChI=1S/C16H16N6O/c1-3-16(2,23)6-4-12-8-13-11(9-19-12)10-20-22(13)14-5-7-18-15(17)21-14/h5,7-10,23H,3H2,1-2H3,(H2,17,18,21)/t16-/m0/s1
Definition date:	2020-09-11
Last modified:	2021-05-14
Release date:	2021-05-19
Identifier:	(3S)-1-[1-(2-aminopyrimidin-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-methylpent-1-yn-3-ol

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