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W4M
W4M
表記:(hydroxy{(1S)-1-(methylsulfanyl)-2-[5-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)-1H-benzotriazol-1-yl]ethyl}amino)methanol
組成式:C23 H27 N5 O3 S
SMILES:c2(cc1c(n(CC(SC)N(O)CO)nn1)cc2)C#Cc4ccc(CN3CCOCC3)cc4
InChi:InChI=1S/C23H27N5O3S/c1-32-23(28(30)17-29)16-27-22-9-8-19(14-21(22)24-25-27)5-2-18-3-6-20(7-4-18)15-26-10-12-31-13-11-26/h3-4,6-9,14,23,29-30H,10-13,15-17H2,1H3/t23-/m0/s1
定義日:2020-09-29
最終更新日:2020-11-20
公開日:2020-11-25
識別子（ID）:(hydroxy{(1S)-1-(methylsulfanyl)-2-[5-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)-1H-benzotriazol-1-yl]ethyl}amino)methanol
W4P
W4P
表記:N-hydroxy-N-[(1S)-2-{5-[(4-{[2-(hydroxymethyl)-1H-imidazol-1-yl]methyl}phenyl)ethynyl]-1H-benzotriazol-1-yl}-1-(methylsulfanyl)ethyl]formamide
組成式:C23 H22 N6 O3 S
SMILES:c2(cc1c(n(CC(SC)N(O)C=O)nn1)cc2)C#Cc4ccc(Cn3ccnc3CO)cc4
InChi:InChI=1S/C23H22N6O3S/c1-33-23(29(32)16-31)14-28-21-9-8-18(12-20(21)25-26-28)5-2-17-3-6-19(7-4-17)13-27-11-10-24-22(27)15-30/h3-4,6-12,16,23,30,32H,13-15H2,1H3/t23-/m0/s1
定義日:2020-09-29
最終更新日:2020-11-20
公開日:2020-11-25
識別子（ID）:N-hydroxy-N-[(1S)-2-{5-[(4-{[2-(hydroxymethyl)-1H-imidazol-1-yl]methyl}phenyl)ethynyl]-1H-benzotriazol-1-yl}-1-(methylsulfanyl)ethyl]formamide
W8P
W8P
表記:N-hydroxy-N-[(1R)-2-{5-[(4-{[2-(hydroxymethyl)-1H-imidazol-1-yl]methyl}phenyl)ethynyl]-1H-benzotriazol-1-yl}-1-(methylsulfanyl)ethyl]formamide
組成式:C23 H22 N6 O3 S
SMILES:c2(ccc1n(CC(SC)N(O)C=O)nnc1c2)C#Cc4ccc(Cn3ccnc3CO)cc4
InChi:InChI=1S/C23H22N6O3S/c1-33-23(29(32)16-31)14-28-21-9-8-18(12-20(21)25-26-28)5-2-17-3-6-19(7-4-17)13-27-11-10-24-22(27)15-30/h3-4,6-12,16,23,30,32H,13-15H2,1H3/t23-/m1/s1
定義日:2020-09-30
最終更新日:2020-11-20
公開日:2020-11-25
識別子（ID）:N-hydroxy-N-[(1R)-2-{5-[(4-{[2-(hydroxymethyl)-1H-imidazol-1-yl]methyl}phenyl)ethynyl]-1H-benzotriazol-1-yl}-1-(methylsulfanyl)ethyl]formamide
BY9
BY9
表記:12-beta-D-glucopyranosyl-12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione
組成式:C26 H21 N3 O7
SMILES:c1c7c(ccc1)c3c(c5c(c2C(=O)NC(c23)=O)c4ccccc4n5C6OC(C(C(C6O)O)O)CO)n7
InChi:InChI=1S/C26H21N3O7/c30-9-14-21(31)22(32)23(33)26(36-14)29-13-8-4-2-6-11(13)16-18-17(24(34)28-25(18)35)15-10-5-1-3-7-12(10)27-19(15)20(16)29/h1-8,14,21-23,26-27,30-33H,9H2,(H,28,34,35)/t14-,21-,22+,23-,26-/m1/s1
別名:rebeccamycin analogue
定義日:2019-11-04
最終更新日:2020-11-20
公開日:2020-11-25
識別子（ID）:12-beta-D-glucopyranosyl-12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione
WGA
WGA
表記:(3S)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol
組成式:C11 H15 F N2 O
SMILES:c2ccnc(N1CC(C(C)(C1)C)O)c2F
InChi:InChI=1S/C11H15FN2O/c1-11(2)7-14(6-9(11)15)10-8(12)4-3-5-13-10/h3-5,9,15H,6-7H2,1-2H3/t9-/m1/s1
定義日:2020-10-29
最終更新日:2020-11-20
公開日:2020-11-25
識別子（ID）:(3S)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol
WGD
WGD
表記:1-{(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl}methanamine
組成式:C10 H16 F N3 S
SMILES:n1c(C)scc1CN2CC(F)CC2CN
InChi:InChI=1S/C10H16FN3S/c1-7-13-9(6-15-7)5-14-4-8(11)2-10(14)3-12/h6,8,10H,2-5,12H2,1H3/t8-,10-/m0/s1
定義日:2020-10-29
最終更新日:2020-11-20
公開日:2020-11-25
識別子（ID）:1-{(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl}methanamine
OT1
OT1
表記:2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole
組成式:C19 H25 Cl Ir N2
SMILES:CC1C(C)C(C)C(C)C1C.Cn2c([Ir]Cl)[n](C)c3ccccc23
InChi:InChI=1S/C10H15.C9H10N2.ClH.Ir/c1-6-7(2)9(4)10(5)8(6)3
定義日:2019-07-03
最終更新日:2020-11-20
公開日:2020-11-25
識別子（ID）:2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole
WUG
WUG
表記:1-(2,4-dimethyl-1H-imidazol-5-yl)methanamine
組成式:C6 H11 N3
SMILES:Cc1c(CN)nc(n1)C
InChi:InChI=1S/C6H11N3/c1-4-6(3-7)9-5(2)8-4/h3,7H2,1-2H3,(H,8,9)
定義日:2020-11-17
最終更新日:2020-11-20
公開日:2020-11-25
識別子（ID）:1-(2,4-dimethyl-1H-imidazol-5-yl)methanamine
WUJ
WUJ
表記:N-[(furan-2-yl)methyl]urea
組成式:C6 H8 N2 O2
SMILES:NC(NCc1ccco1)=O
InChi:InChI=1S/C6H8N2O2/c7-6(9)8-4-5-2-1-3-10-5/h1-3H,4H2,(H3,7,8,9)
定義日:2020-11-17
最終更新日:2020-11-20
公開日:2020-11-25
識別子（ID）:N-[(furan-2-yl)methyl]urea
WUM
WUM
表記:4-[(dimethylamino)methyl]-1,3-thiazol-2-amine
組成式:C6 H11 N3 S
SMILES:CN(C)Cc1nc(sc1)N
InChi:InChI=1S/C6H11N3S/c1-9(2)3-5-4-10-6(7)8-5/h4H,3H2,1-2H3,(H2,7,8)
定義日:2020-11-17
最終更新日:2020-11-20
公開日:2020-11-25
識別子（ID）:4-[(dimethylamino)methyl]-1,3-thiazol-2-amine
WUS
WUS
表記:(5R)-2-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-5-amine
組成式:C8 H13 N3
SMILES:c12CC(CCc1nc(C)n2)N
InChi:InChI=1S/C8H13N3/c1-5-10-7-3-2-6(9)4-8(7)11-5/h6H,2-4,9H2,1H3,(H,10,11)/t6-/m1/s1
定義日:2020-11-17
最終更新日:2020-11-20
公開日:2020-11-25
識別子（ID）:(5R)-2-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-5-amine
WUV
WUV
表記:5'-thiothymidine
組成式:C10 H14 N2 O4 S
SMILES:C(S)C2C(CC(N1C(NC(C(C)=C1)=O)=O)O2)O
InChi:InChI=1S/C10H14N2O4S/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(4-17)16-8/h3,6-8,13,17H,2,4H2,1H3,(H,11,14,15)/t6-,7+,8+/m0/s1
定義日:2020-11-17
最終更新日:2020-11-20
公開日:2020-11-25
識別子（ID）:5'-thiothymidine
WUY
WUY
表記:N-(2-aminoethyl)-N'-phenylurea
組成式:C9 H13 N3 O
SMILES:c1ccc(NC(NCCN)=O)cc1
InChi:InChI=1S/C9H13N3O/c10-6-7-11-9(13)12-8-4-2-1-3-5-8/h1-5H,6-7,10H2,(H2,11,12,13)
定義日:2020-11-17
最終更新日:2020-11-20
公開日:2020-11-25
識別子（ID）:N-(2-aminoethyl)-N'-phenylurea
E83
E83
表記:2-[[3-[(2E)-2-[1,3-bis(oxidanylidene)-1-phenyl-butan-2-ylidene]hydrazinyl]phenyl]sulfonylamino]benzoic acid
組成式:C23 H19 N3 O6 S
SMILES:CC(=O)C(=NNc1cccc(c1)[S](=O)(=O)Nc2ccccc2C(O)=O)C(=O)c3ccccc3
InChi:InChI=1S/C23H19N3O6S/c1-15(27)21(22(28)16-8-3-2-4-9-16)25-24-17-10-7-11-18(14-17)33(31,32)26-20-13-6-5-12-19(20)23(29)30/h2-14,24,26H,1H3,(H,29,30)/b25-21+
定義日:2019-11-19
最終更新日:2020-11-20
公開日:2020-11-25
識別子（ID）:2-[[3-[(2~{E})-2-[1,3-bis(oxidanylidene)-1-phenyl-butan-2-ylidene]hydrazinyl]phenyl]sulfonylamino]benzoic acid
E9R
E9R
表記:(2~{S})-6-[4-(hydroxymethyl)-3-oxidanyl-pyridin-1-ium-1-yl]-2-(phenylmethoxycarbonylamino)hexanoic acid
組成式:C20 H25 N2 O6
SMILES:OCc1cc[n+](CCCC[CH](NC(=O)OCc2ccccc2)C(O)=O)cc1O
InChi:InChI=1S/C20H24N2O6/c23-13-16-9-11-22(12-18(16)24)10-5-4-8-17(19(25)26)21-20(27)28-14-15-6-2-1-3-7-15/h1-3,6-7,9,11-12,17,23H,4-5,8,10,13-14H2,(H2-,21,24,25,26,27)/p+1/t17-/m0/s1
定義日:2019-11-26
最終更新日:2020-11-20
公開日:2020-11-25
識別子（ID）:(2~{S})-6-[4-(hydroxymethyl)-3-oxidanyl-pyridin-1-ium-1-yl]-2-(phenylmethoxycarbonylamino)hexanoic acid
EHL
EHL
表記:5-methyl-N-(5-nitro-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide
組成式:C14 H10 N4 O4 S
SMILES:Cc1onc(c2ccccc2)c1C(=O)Nc3sc(cn3)[N+]([O-])=O
InChi:InChI=1S/C14H10N4O4S/c1-8-11(12(17-22-8)9-5-3-2-4-6-9)13(19)16-14-15-7-10(23-14)18(20)21/h2-7H,1H3,(H,15,16,19)
定義日:2019-12-24
最終更新日:2020-11-20
公開日:2020-11-25
識別子（ID）:5-methyl-~{N}-(5-nitro-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide
ER0
ER0
表記:[(2~{R},3~{S})-2,3,4-tris(oxidanyl)butyl] (5~{R},9~{R},13~{R})-5,9,13,17-tetramethyloctadecanoate
組成式:C26 H52 O5
SMILES:CC(C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCCC(=O)OC[CH](O)[CH](O)CO
InChi:InChI=1S/C26H52O5/c1-20(2)10-6-11-21(3)12-7-13-22(4)14-8-15-23(5)16-9-17-26(30)31-19-25(29)24(28)18-27/h20-25,27-29H,6-19H2,1-5H3/t21-,22-,23-,24+,25-/m1/s1
定義日:2020-01-16
最終更新日:2020-11-20
公開日:2020-11-25
識別子（ID）:[(2~{R},3~{S})-2,3,4-tris(oxidanyl)butyl] (5~{R},9~{R},13~{R})-5,9,13,17-tetramethyloctadecanoate
EXF
EXF
表記:N-[(2R)-2-fluoranyl-3-methyl-3-oxidanyl-butyl]-6-[(6-fluoranylpyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide
組成式:C20 H25 F2 N7 O2
SMILES:CC(C)Nc1cc(Nc2nc3ccnn3cc2F)ncc1C(=O)NC[CH](F)C(C)(C)O
InChi:InChI=1S/C20H25F2N7O2/c1-11(2)26-14-7-16(27-18-13(21)10-29-17(28-18)5-6-25-29)23-8-12(14)19(30)24-9-15(22)20(3,4)31/h5-8,10-11,15,31H,9H2,1-4H3,(H,24,30)(H2,23,26,27,28)/t15-/m1/s1
定義日:2020-02-14
最終更新日:2020-11-20
公開日:2020-11-25
識別子（ID）:~{N}-[(2~{R})-2-fluoranyl-3-methyl-3-oxidanyl-butyl]-6-[(6-fluoranylpyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide
F26
F26
表記:2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,4-trimethyl-benzene
組成式:C40 H52
SMILES:CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=Cc1c(C)ccc(C)c1C
InChi:InChI=1S/C40H52/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-30-40-38(9)29-28-37(8)39(40)10/h11-12,14-19,21-30H,13,20H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,30-27+,32-18+,33-19+,34-23+,35-24+,36-26+
定義日:2020-03-17
最終更新日:2020-11-20
公開日:2020-11-25
識別子（ID）:2-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E},19~{E})-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,4-trimethyl-benzene
F39
F39
表記:[(2R,3S,4S,5R,6R)-6-[(10E,12E,14E)-2,6,10,14,19,23-hexamethyl-25-(2,3,6-trimethylphenyl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl dodecanoate
組成式:C58 H86 O7
SMILES:CCCCCCCCCCCC(=O)OC[CH]1O[CH](OC(C)(C)CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=Cc2c(C)ccc(C)c2C)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C58H86O7/c1-12-13-14-15-16-17-18-19-20-36-53(59)63-42-52-54(60)55(61)56(62)57(64-52)65-58(10,11)41-26-35-46(5)33-24-32-45(4)31-23-29-43(2)27-21-22-28-44(3)30-25-34-47(6)37-40-51-49(8)39-38-48(7)50(51)9/h21-25,27-34,37-40,52,54-57,60-62H,12-20,26,35-36,41-42H2,1-11H3/b22-21?,29-23+,30-25?,32-24+,40-37+,43-27+,44-28?,45-31+,46-33?,47-34-/t52-,54-,55+,56-,57-/m1/s1
定義日:2020-03-18
最終更新日:2020-11-20
公開日:2020-11-25
識別子（ID）:[(2~{R},3~{S},4~{S},5~{R},6~{R})-6-[(10~{E},12~{E},14~{E})-2,6,10,14,19,23-hexamethyl-25-(2,3,6-trimethylphenyl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl dodecanoate
F6X
F6X
表記:[(2R,3R)-3-[2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate
組成式:C10 H17 N4 O7 P
SMILES:C[CH](O[P](O)(O)=O)[CH](CO)NC(=O)CN1C=CC(=NC1=O)N
InChi:InChI=1S/C10H17N4O7P/c1-6(21-22(18,19)20)7(5-15)12-9(16)4-14-3-2-8(11)13-10(14)17/h2-3,6-7,15H,4-5H2,1H3,(H,12,16)(H2,11,13,17)(H2,18,19,20)/t6-,7-/m1/s1
定義日:2020-04-03
最終更新日:2020-11-20
公開日:2020-11-25
識別子（ID）:[(2~{R},3~{R})-3-[2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate
F73
F73
表記:[(2R,3R)-3-[2-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate
組成式:C11 H17 N6 O7 P
SMILES:C[CH](O[P](O)(O)=O)[CH](CO)NC(=O)Cn1cnc2C(=O)NC(=Nc12)N
InChi:InChI=1S/C11H17N6O7P/c1-5(24-25(21,22)23)6(3-18)14-7(19)2-17-4-13-8-9(17)15-11(12)16-10(8)20/h4-6,18H,2-3H2,1H3,(H,14,19)(H2,21,22,23)(H3,12,15,16,20)/t5-,6-/m1/s1
定義日:2020-04-03
最終更新日:2020-11-20
公開日:2020-11-25
識別子（ID）:[(2~{R},3~{R})-3-[2-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate
F7O
F7O
表記:[(2R)-2-[2-(6-aminopurin-9-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate
組成式:C10 H15 N6 O6 P
SMILES:Nc1ncnc2n(CC(=O)N[CH](CO)CO[P](O)(O)=O)cnc12
InChi:InChI=1S/C10H15N6O6P/c11-9-8-10(13-4-12-9)16(5-14-8)1-7(18)15-6(2-17)3-22-23(19,20)21/h4-6,17H,1-3H2,(H,15,18)(H2,11,12,13)(H2,19,20,21)/t6-/m1/s1
定義日:2020-04-07
最終更新日:2020-11-20
公開日:2020-11-25
識別子（ID）:[(2~{R})-2-[2-(6-aminopurin-9-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate
F7R
F7R
表記:[(2R)-2-[2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate
組成式:C9 H15 N4 O7 P
SMILES:NC1=NC(=O)N(CC(=O)N[CH](CO)CO[P](O)(O)=O)C=C1
InChi:InChI=1S/C9H15N4O7P/c10-7-1-2-13(9(16)12-7)3-8(15)11-6(4-14)5-20-21(17,18)19/h1-2,6,14H,3-5H2,(H,11,15)(H2,10,12,16)(H2,17,18,19)/t6-/m1/s1
定義日:2020-04-07
最終更新日:2020-11-20
公開日:2020-11-25
識別子（ID）:[(2~{R})-2-[2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate
F7U
F7U
表記:2-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-N-[1,3-bis(oxidanyl)propan-2-yl]ethanamide
組成式:C10 H14 N6 O4
SMILES:NC1=Nc2n(CC(=O)NC(CO)CO)cnc2C(=O)N1
InChi:InChI=1S/C10H14N6O4/c11-10-14-8-7(9(20)15-10)12-4-16(8)1-6(19)13-5(2-17)3-18/h4-5,17-18H,1-3H2,(H,13,19)(H3,11,14,15,20)
定義日:2020-04-07
最終更新日:2020-11-20
公開日:2020-11-25
識別子（ID）:2-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-~{N}-[1,3-bis(oxidanyl)propan-2-yl]ethanamide

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件を2025-07-09に公開中

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