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YX4
YX4
Name:2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[(S)-(3-fluoropyridin-2-yl)(oxan-4-yl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol
Formula:C29 H30 F2 N6 O2
SMILES:CC(C)(O)c1ccc2c(n(c3cc(cnc32)c2c(C)nnn2C)C(C2CCOCC2)c2ncccc2F)c1F
InChi:InChI=1S/C29H30F2N6O2/c1-16-26(36(4)35-34-16)18-14-22-24(33-15-18)19-7-8-20(29(2,3)38)23(31)28(19)37(22)27(17-9-12-39-13-10-17)25-21(30)6-5-11-32-25/h5-8,11,14-15,17,27,38H,9-10,12-13H2,1-4H3/t27-/m0/s1
Definition date:2021-04-02
Last modified:2021-05-21
Release date:2021-05-26
Identifier:2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[(S)-(3-fluoropyridin-2-yl)(oxan-4-yl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol
VQP
VQP
Name:N-(3,3-dimethylbutyl)-N'-{2-fluoro-5-[(5-fluoro-3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-methylphenyl}urea
Formula:C23 H27 F2 N5 O2
SMILES:c1(cc(c(cc1NC(NCCC(C)(C)C)=O)Nc3ccc2c(C(N(C)C=N2)=O)c3F)C)F
InChi:InChI=1S/C23H27F2N5O2/c1-13-10-14(24)18(29-22(32)26-9-8-23(2,3)4)11-17(13)28-16-7-6-15-19(20(16)25)21(31)30(5)12-27-15/h6-7,10-12,28H,8-9H2,1-5H3,(H2,26,29,32)
Definition date:2020-09-08
Last modified:2021-05-21
Release date:2021-05-26
Identifier:N-(3,3-dimethylbutyl)-N'-{2-fluoro-5-[(5-fluoro-3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-methylphenyl}urea
W9J
W9J
Name:N-carbamoyl-L-methionine
Formula:C6 H12 N2 O3 S
SMILES:NC(NC(C(O)=O)CCSC)=O
InChi:InChI=1S/C6H12N2O3S/c1-12-3-2-4(5(9)10)8-6(7)11/h4H,2-3H2,1H3,(H,9,10)(H3,7,8,11)/t4-/m0/s1
Definition date:2020-10-02
Last modified:2021-05-21
Release date:2021-05-26
Identifier:N-carbamoyl-L-methionine
N55
N55
Name:2-chloranyl-4-[4-[(1~{R})-1-imidazol-1-ylprop-2-enyl]phenyl]phenol
Formula:C18 H15 Cl N2 O
SMILES:Oc1ccc(cc1Cl)c2ccc(cc2)[CH](C=C)n3ccnc3
InChi:InChI=1S/C18H15ClN2O/c1-2-17(21-10-9-20-12-21)14-5-3-13(4-6-14)15-7-8-18(22)16(19)11-15/h2-12,17,22H,1H2/t17-/m1/s1
Definition date:2019-11-12
Last modified:2021-05-21
Release date:2021-05-26
Identifier:2-chloranyl-4-[4-[(1~{R})-1-imidazol-1-ylprop-2-enyl]phenyl]phenol
N5W
N5W
Name:1-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole
Formula:C17 H13 F3 N2
SMILES:FC(F)(F)c1ccc(cc1)c2ccc(Cn3ccnc3)cc2
InChi:InChI=1S/C17H13F3N2/c18-17(19,20)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-22-10-9-21-12-22/h1-10,12H,11H2
Definition date:2019-11-12
Last modified:2021-05-21
Release date:2021-05-26
Identifier:1-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole
N5Z
N5Z
Name:1-[(~{E})-3-[4-(4-fluorophenyl)phenyl]prop-2-enyl]imidazole
Formula:C18 H15 F N2
SMILES:Fc1ccc(cc1)c2ccc(C=CCn3ccnc3)cc2
InChi:InChI=1S/C18H15FN2/c19-18-9-7-17(8-10-18)16-5-3-15(4-6-16)2-1-12-21-13-11-20-14-21/h1-11,13-14H,12H2/b2-1+
Definition date:2019-11-12
Last modified:2021-05-21
Release date:2021-05-26
Identifier:1-[(~{E})-3-[4-(4-fluorophenyl)phenyl]prop-2-enyl]imidazole
11R
11R
Name:RUTHENIUM WIRE, 11 CARBON LINKER
Formula:C51 H75 N7 O Ru
SMILES:CN(C)c1cccc(c1)OCCCCCCCCCCCC1=CCN2C3=C4C(C=CC31)=CC=CN4[Ru]212(N3CCCCC3C3CCCCN31)N1CCC=CC1C1CCCCN12
InChi:InChI=1S/C31H41N3O.C10H18N2.C10H16N2.Ru/c1-34(2)27-16-12-17-28(24-27)35-23-11-9-7-5-3-4-6-8-10-14-25-20-22-33-31-29(25)19-18-26-15-13-21-32-30(26)31
Synonyms:BIS[1H,1'H-2,2'-BIPYRIDINATO(2-)-KAPPA~2~N~1~,N~1'~][3-{[11-(1,10-DIHYDRO-1,10-PHENANTHROLIN-4-YL-KAPPA~2~N~1~,N~10~)UNDECYL]OXY}-N,N-DIMETHYLANILINATO(2-)]RUTHENIUM
Definition date:2006-02-27
Last modified:2021-05-21
Identifier:[(1R,1'R,2S,2'S)-2,2'-bipiperidinato(2-)-kappa~2~N~1~,N~1'~][N,N-dimethyl-3-({11-[(1S,4aS,10S)-1,2,4a,10-tetrahydro-1,10-phenanthrolin-4-yl-kappa~2~N~1~,N~10~]undecyl}oxy)anilinato(2-)][(1R,6S)-6-[(1R,2S)-piperidin-2-yl-kappaN]-1,2,3,6-tetrahydropyridinato(2-)-kappaN]ruthenium
Q5B
Q5B
Name:(3S)-citryl-Coenzyme A
Formula:C27 H42 N7 O22 P3 S
SMILES:CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)C[C](O)(CC(O)=O)C(O)=O
InChi:InChI=1S/C27H42N7O22P3S/c1-26(2,20(40)23(41)30-4-3-14(35)29-5-6-60-16(38)8-27(44,25(42)43)7-15(36)37)10-53-59(50,51)56-58(48,49)52-9-13-19(55-57(45,46)47)18(39)24(54-13)34-12-33-17-21(28)31-11-32-22(17)34/h11-13,18-20,24,39-40,44H,3-10H2,1-2H3,(H,29,35)(H,30,41)(H,36,37)(H,42,43)(H,48,49)(H,50,51)(H2,28,31,32)(H2,45,46,47)/t13-,18-,19-,20+,24-,27+/m1/s1
Synonyms:(2~{S})-2-[2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid
Definition date:2020-05-18
Last modified:2021-05-21
Release date:2021-05-26
Identifier:(2~{S})-2-[2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid
Q5E
Q5E
Name:1,7,8,9,10,10-hexachloro-4-carboxypentyl-4-aza-tricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione
Formula:C15 H13 Cl6 N O4
SMILES:OC(=O)CCCCCN1C(=O)[CH]2[CH](C1=O)[C]3(Cl)C(=C(Cl)[C]2(Cl)C3(Cl)Cl)Cl
InChi:InChI=1S/C15H13Cl6NO4/c16-9-10(17)14(19)8-7(13(9,18)15(14,20)21)11(25)22(12(8)26)5-3-1-2-4-6(23)24/h7-8H,1-5H2,(H,23,24)/t7-,8+,13+,14-
Synonyms:6-[(1~{R},2~{S},6~{R},7~{S})-1,7,8,9,10,10-hexakis(chloranyl)-3,5-bis(oxidanylidene)-4-azatricyclo[5.2.1.0^{2,6}]dec-8- en-4-yl]hexanoic acid
Definition date:2020-05-18
Last modified:2021-05-21
Release date:2021-05-26
Identifier:6-[(1~{R},2~{S},6~{R},7~{S})-1,7,8,9,10,10-hexakis(chloranyl)-3,5-bis(oxidanylidene)-4-azatricyclo[5.2.1.0^{2,6}]dec-8-en-4-yl]hexanoic acid
Q9H
Q9H
Name:(2~{R},3~{R},4~{S},5~{R})-2-[6-azanyl-8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-[6-(2-azanylethylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Formula:C25 H31 N11 O8
SMILES:NCCNc1ncnc2n(cnc12)[CH]3O[CH](COCC#Cc4nc5c(N)ncnc5n4[CH]6O[CH](CO)[CH](O)[CH]6O)[CH](O)[CH]3O
InChi:InChI=1S/C25H31N11O8/c26-3-4-28-21-15-22(31-9-30-21)35(10-33-15)24-18(40)17(39)12(44-24)7-42-5-1-2-13-34-14-20(27)29-8-32-23(14)36(13)25-19(41)16(38)11(6-37)43-25/h8-12,16-19,24-25,37-41H,3-7,26H2,(H2,27,29,32)(H,28,30,31)/t11-,12-,16-,17-,18-,19-,24-,25-/m1/s1
Definition date:2020-05-28
Last modified:2021-05-21
Release date:2021-05-26
Identifier:(2~{R},3~{R},4~{S},5~{R})-2-[6-azanyl-8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-[6-(2-azanylethylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Q9K
Q9K
Name:(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl-(3-azanylpropyl)amino]methyl]oxolane-3,4-diol
Formula:C26 H34 N12 O7
SMILES:NCCCN(CC#Cc1nc2c(N)ncnc2n1[CH]3O[CH](CO)[CH](O)[CH]3O)C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56
InChi:InChI=1S/C26H34N12O7/c27-4-2-6-36(7-12-17(40)19(42)25(44-12)37-11-34-15-21(28)30-9-32-23(15)37)5-1-3-14-35-16-22(29)31-10-33-24(16)38(14)26-20(43)18(41)13(8-39)45-26/h9-13,17-20,25-26,39-43H,2,4-8,27H2,(H2,28,30,32)(H2,29,31,33)/t12-,13-,17-,18-,19-,20-,25-,26-/m1/s1
Definition date:2020-05-28
Last modified:2021-05-21
Release date:2021-05-26
Identifier:(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl-(3-azanylpropyl)amino]methyl]oxolane-3,4-diol
Q9N
Q9N
Name:~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-4-azanyl-butanamide
Formula:C27 H34 N12 O8
SMILES:NCCCC(=O)NC[CH]1O[CH]([CH](O)[CH]1O)n2c(nc3c(N)ncnc23)C#CCOC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56
InChi:InChI=1S/C27H34N12O8/c28-5-1-4-15(40)31-7-12-18(41)21(44)27(46-12)39-14(37-17-23(30)33-10-35-25(17)39)3-2-6-45-8-13-19(42)20(43)26(47-13)38-11-36-16-22(29)32-9-34-24(16)38/h9-13,18-21,26-27,41-44H,1,4-8,28H2,(H,31,40)(H2,29,32,34)(H2,30,33,35)/t12-,13-,18-,19-,20-,21-,26-,27-/m1/s1
Definition date:2020-05-28
Last modified:2021-05-21
Release date:2021-05-26
Identifier:~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-4-azanyl-butanamide
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

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