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4YJ
4YJ
表記:2-azanyl-5-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid
組成式:C12 H12 N2 O3 S
SMILES:COc1ccc(Cc2sc(N)nc2C(O)=O)cc1
InChi:InChI=1S/C12H12N2O3S/c1-17-8-4-2-7(3-5-8)6-9-10(11(15)16)14-12(13)18-9/h2-5H,6H2,1H3,(H2,13,14)(H,15,16)
定義日:2023-01-09
最終更新日:2023-10-27
公開日:2023-11-01
識別子（ID）:2-azanyl-5-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid
51I
51I
表記:2-azanyl-5-[(4-propylphenyl)methyl]-1,3-thiazole-4-carboxylic acid
組成式:C14 H16 N2 O2 S
SMILES:CCCc1ccc(Cc2sc(N)nc2C(O)=O)cc1
InChi:InChI=1S/C14H16N2O2S/c1-2-3-9-4-6-10(7-5-9)8-11-12(13(17)18)16-14(15)19-11/h4-7H,2-3,8H2,1H3,(H2,15,16)(H,17,18)
定義日:2023-01-09
最終更新日:2023-10-27
公開日:2023-11-01
識別子（ID）:2-azanyl-5-[(4-propylphenyl)methyl]-1,3-thiazole-4-carboxylic acid
5YT
5YT
表記:2-azanyl-5-but-3-enyl-1,3-thiazole-4-carboxylic acid
組成式:C8 H10 N2 O2 S
SMILES:Nc1sc(CCC=C)c(n1)C(O)=O
InChi:InChI=1S/C8H10N2O2S/c1-2-3-4-5-6(7(11)12)10-8(9)13-5/h2H,1,3-4H2,(H2,9,10)(H,11,12)
定義日:2023-01-09
最終更新日:2023-10-27
公開日:2023-11-01
識別子（ID）:2-azanyl-5-but-3-enyl-1,3-thiazole-4-carboxylic acid
5Z2
5Z2
表記:2-azanyl-5-pentyl-1,3-thiazole-4-carboxylic acid
組成式:C9 H14 N2 O2 S
SMILES:CCCCCc1sc(N)nc1C(O)=O
InChi:InChI=1S/C9H14N2O2S/c1-2-3-4-5-6-7(8(12)13)11-9(10)14-6/h2-5H2,1H3,(H2,10,11)(H,12,13)
定義日:2023-01-09
最終更新日:2023-10-27
公開日:2023-11-01
識別子（ID）:2-azanyl-5-pentyl-1,3-thiazole-4-carboxylic acid
5ZD
5ZD
表記:2-azanyl-5-hexyl-1,3-thiazole-4-carboxylic acid
組成式:C10 H16 N2 O2 S
SMILES:CCCCCCc1sc(N)nc1C(O)=O
InChi:InChI=1S/C10H16N2O2S/c1-2-3-4-5-6-7-8(9(13)14)12-10(11)15-7/h2-6H2,1H3,(H2,11,12)(H,13,14)
定義日:2023-01-10
最終更新日:2023-10-27
公開日:2023-11-01
識別子（ID）:2-azanyl-5-hexyl-1,3-thiazole-4-carboxylic acid
5ZR
5ZR
表記:2-azanyl-5-heptyl-1,3-thiazole-4-carboxylic acid
組成式:C11 H18 N2 O2 S
SMILES:CCCCCCCc1sc(N)nc1C(O)=O
InChi:InChI=1S/C11H18N2O2S/c1-2-3-4-5-6-7-8-9(10(14)15)13-11(12)16-8/h2-7H2,1H3,(H2,12,13)(H,14,15)
定義日:2023-01-10
最終更新日:2023-10-27
公開日:2023-11-01
識別子（ID）:2-azanyl-5-heptyl-1,3-thiazole-4-carboxylic acid
5ZU
5ZU
表記:2-azanyl-5-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxylic acid
組成式:C9 H8 N2 O2 S2
SMILES:Nc1sc(Cc2sccc2)c(n1)C(O)=O
InChi:InChI=1S/C9H8N2O2S2/c10-9-11-7(8(12)13)6(15-9)4-5-2-1-3-14-5/h1-3H,4H2,(H2,10,11)(H,12,13)
定義日:2023-01-10
最終更新日:2023-10-27
公開日:2023-11-01
識別子（ID）:2-azanyl-5-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxylic acid
5ZX
5ZX
表記:2-azanyl-5-(2-phenylethyl)-1,3-thiazole-4-carboxylic acid
組成式:C12 H12 N2 O2 S
SMILES:Nc1sc(CCc2ccccc2)c(n1)C(O)=O
InChi:InChI=1S/C12H12N2O2S/c13-12-14-10(11(15)16)9(17-12)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,13,14)(H,15,16)
定義日:2023-01-10
最終更新日:2023-10-27
公開日:2023-11-01
識別子（ID）:2-azanyl-5-(2-phenylethyl)-1,3-thiazole-4-carboxylic acid
60J
60J
表記:2-azanyl-5-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxylic acid
組成式:C10 H10 N2 O2 S2
SMILES:Nc1sc(CCc2sccc2)c(n1)C(O)=O
InChi:InChI=1S/C10H10N2O2S2/c11-10-12-8(9(13)14)7(16-10)4-3-6-2-1-5-15-6/h1-2,5H,3-4H2,(H2,11,12)(H,13,14)
定義日:2023-01-10
最終更新日:2023-10-27
公開日:2023-11-01
識別子（ID）:2-azanyl-5-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxylic acid
5A5
5A5
表記:2-azanyl-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxylic acid
組成式:C14 H16 N2 O2 S
SMILES:CC(C)c1ccc(Cc2sc(N)nc2C(O)=O)cc1
InChi:InChI=1S/C14H16N2O2S/c1-8(2)10-5-3-9(4-6-10)7-11-12(13(17)18)16-14(15)19-11/h3-6,8H,7H2,1-2H3,(H2,15,16)(H,17,18)
定義日:2023-01-09
最終更新日:2023-10-27
公開日:2023-11-01
識別子（ID）:2-azanyl-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxylic acid
5I6
5I6
表記:2-azanyl-5-[(4-but-3-enoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid
組成式:C15 H16 N2 O3 S
SMILES:Nc1sc(Cc2ccc(OCCC=C)cc2)c(n1)C(O)=O
InChi:InChI=1S/C15H16N2O3S/c1-2-3-8-20-11-6-4-10(5-7-11)9-12-13(14(18)19)17-15(16)21-12/h2,4-7H,1,3,8-9H2,(H2,16,17)(H,18,19)
定義日:2023-01-09
最終更新日:2023-10-27
公開日:2023-11-01
識別子（ID）:2-azanyl-5-[(4-but-3-enoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid
5IY
5IY
表記:2-azanyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid
組成式:C8 H12 N2 O2 S
SMILES:CC(C)Cc1sc(N)nc1C(O)=O
InChi:InChI=1S/C8H12N2O2S/c1-4(2)3-5-6(7(11)12)10-8(9)13-5/h4H,3H2,1-2H3,(H2,9,10)(H,11,12)
定義日:2023-01-09
最終更新日:2023-10-27
公開日:2023-11-01
識別子（ID）:2-azanyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid
QDL
QDL
表記:Antheraxanthin
組成式:C40 H56 O3
SMILES:CC1=C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=C[C]23O[C]2(C)C[CH](O)CC3(C)C)C(C)(C)C[CH](O)C1
InChi:InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40+/m1/s1
別名:(1~{R},3~{S},6~{S})-1,5,5-trimethyl-6-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptan-3-ol
定義日:2022-10-25
最終更新日:2023-10-27
公開日:2023-11-01
識別子（ID）:(1~{R},3~{S},6~{S})-1,5,5-trimethyl-6-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptan-3-ol
QI0
QI0
表記:Basmisanil
組成式:C21 H20 F N3 O5 S
SMILES:Cc1onc(c1COc2ccc(cn2)C(=O)N3CC[S](=O)(=O)CC3)c4ccc(F)cc4
InChi:InChI=1S/C21H20FN3O5S/c1-14-18(20(24-30-14)15-2-5-17(22)6-3-15)13-29-19-7-4-16(12-23-19)21(26)25-8-10-31(27,28)11-9-25/h2-7,12H,8-11,13H2,1H3
別名:[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]-[6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridin-3-yl]methanone
定義日:2022-10-29
最終更新日:2023-10-27
公開日:2023-11-01
識別子（ID）:[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]-[6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridin-3-yl]methanone
QKF
QKF
表記:[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]-[6-[[5-methyl-3-(6-methylpyridin-3-yl)-1,2-oxazol-4-yl]methoxy]pyridin-3-yl]methanone
組成式:C21 H22 N4 O5 S
SMILES:Cc1onc(c1COc2ccc(cn2)C(=O)N3CC[S](=O)(=O)CC3)c4ccc(C)nc4
InChi:InChI=1S/C21H22N4O5S/c1-14-3-4-16(11-22-14)20-18(15(2)30-24-20)13-29-19-6-5-17(12-23-19)21(26)25-7-9-31(27,28)10-8-25/h3-6,11-12H,7-10,13H2,1-2H3
定義日:2022-11-08
最終更新日:2023-10-27
公開日:2023-11-01
識別子（ID）:[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]-[6-[[5-methyl-3-(6-methylpyridin-3-yl)-1,2-oxazol-4-yl]methoxy]pyridin-3-yl]methanone
QM7
QM7
表記:6-[[5-methyl-3-(6-methylpyridin-3-yl)-1,2-oxazol-4-yl]methoxy]-~{N}-[(2~{S})-1-oxidanylpentan-2-yl]pyridine-3-carboxamide
組成式:C22 H26 N4 O4
SMILES:CCC[CH](CO)NC(=O)c1ccc(OCc2c(C)onc2c3ccc(C)nc3)nc1
InChi:InChI=1S/C22H26N4O4/c1-4-5-18(12-27)25-22(28)17-8-9-20(24-11-17)29-13-19-15(3)30-26-21(19)16-7-6-14(2)23-10-16/h6-11,18,27H,4-5,12-13H2,1-3H3,(H,25,28)/t18-/m0/s1
定義日:2022-11-09
最終更新日:2023-10-27
公開日:2023-11-01
識別子（ID）:6-[[5-methyl-3-(6-methylpyridin-3-yl)-1,2-oxazol-4-yl]methoxy]-~{N}-[(2~{S})-1-oxidanylpentan-2-yl]pyridine-3-carboxamide
QMJ
QMJ
表記:ethyl (7~{S})-15-methoxy-12-oxidanylidene-2,4,11-triazatetracyclo[11.4.0.0^{2,6}.0^{7,11}]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate
組成式:C18 H19 N3 O4
SMILES:CCOC(=O)c1ncn2c3ccc(OC)cc3C(=O)N4CCC[CH]4c12
InChi:InChI=1S/C18H19N3O4/c1-3-25-18(23)15-16-14-5-4-8-20(14)17(22)12-9-11(24-2)6-7-13(12)21(16)10-19-15/h6-7,9-10,14H,3-5,8H2,1-2H3/t14-/m0/s1
定義日:2022-11-09
最終更新日:2023-10-27
公開日:2023-11-01
識別子（ID）:ethyl (7~{S})-15-methoxy-12-oxidanylidene-2,4,11-triazatetracyclo[11.4.0.0^{2,6}.0^{7,11}]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate
QR3
QR3
表記:2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]-5-(5-oxa-2-azaspiro[3.5]nonan-2-yl)pyridazin-3-one
組成式:C21 H24 N6 O3
SMILES:Cc1onc(c1CN2N=CC(=CC2=O)N3CC4(CCCCO4)C3)c5ccc(C)nn5
InChi:InChI=1S/C21H24N6O3/c1-14-5-6-18(24-23-14)20-17(15(2)30-25-20)11-27-19(28)9-16(10-22-27)26-12-21(13-26)7-3-4-8-29-21/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3
定義日:2022-11-11
最終更新日:2023-10-27
公開日:2023-11-01
識別子（ID）:2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]-5-(5-oxa-2-azaspiro[3.5]nonan-2-yl)pyridazin-3-one
IS9
IS9
表記:dimethylcarbamodithioic acid
組成式:C3 H7 N S2
SMILES:CN(C)C(S)=S
InChi:InChI=1S/C3H7NS2/c1-4(2)3(5)6/h1-2H3,(H,5,6)
定義日:2023-08-03
最終更新日:2023-10-27
公開日:2023-11-01
識別子（ID）:dimethylcarbamodithioic acid
K16
K16
表記:Cephaeline
組成式:C28 H38 N2 O4
SMILES:CC[CH]1CN2CCc3cc(OC)c(OC)cc3[CH]2C[CH]1C[CH]4NCCc5cc(O)c(OC)cc45
InChi:InChI=1S/C28H38N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3/t17-,20-,23+,24-/m0/s1
別名:(1~{R})-1-[[(2~{S},3~{R},11~{b}~{S})-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11~{b}-hexahydro-1~{H}-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
定義日:2023-08-10
最終更新日:2023-10-25
公開日:2023-09-13
識別子（ID）:(1~{R})-1-[[(2~{S},3~{R},11~{b}~{S})-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11~{b}-hexahydro-1~{H}-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
WME
WME
表記:(7R,16R)-19,23-dichloro-10-{[2-(4-{[(2R)-1,4-dioxan-2-yl]methoxy}phenyl)pyrimidin-4-yl]methoxy}-1-(4-fluorophenyl)-20,22-dimethyl-16-[(4-methylpiperazin-1-yl)methyl]-7,8,15,16-tetrahydro-18,21-etheno-13,9-(metheno)-6,14,17-trioxa-2-thia-3,5-diazacyclononadeca[1,2,3-cd]indene-7-carboxylic acid
組成式:C53 H51 Cl2 F N6 O9 S
SMILES:CN1CCN(CC1)CC1Oc2c(Cl)c(C)c(c3c4c(ncnc4sc3c3ccc(F)cc3)OC(Cc3cc(OC1)ccc3OCc1ccnc(n1)c1ccc(OCC3COCCO3)cc1)C(=O)O)c(C)c2Cl
InChi:InChI=1S/C53H51Cl2FN6O9S/c1-30-43-31(2)47(55)48(46(30)54)70-39(24-62-18-16-61(3)17-19-62)27-68-38-12-13-41(69-25-36-14-15-57-50(60-36)33-6-10-37(11-7-33)67-28-40-26-65-20-21-66-40)34(22-38)23-42(53(63)64)71-51-45-44(43)49(72-52(45)59-29-58-51)32-4-8-35(56)9-5-32/h4-15,22,29,39-40,42H,16-21,23-28H2,1-3H3,(H,63,64)/t39-,40-,42-/m1/s1
定義日:2022-09-29
最終更新日:2023-10-20
公開日:2023-10-25
識別子（ID）:(7R,16R)-19,23-dichloro-10-{[2-(4-{[(2R)-1,4-dioxan-2-yl]methoxy}phenyl)pyrimidin-4-yl]methoxy}-1-(4-fluorophenyl)-20,22-dimethyl-16-[(4-methylpiperazin-1-yl)methyl]-7,8,15,16-tetrahydro-18,21-etheno-13,9-(metheno)-6,14,17-trioxa-2-thia-3,5-diazacyclononadeca[1,2,3-cd]indene-7-carboxylic acid
X3B
X3B
表記:2-methylidene-1,3-dioxane-4,4-diol
組成式:C5 H8 O4
SMILES:OC1(O)CCOC(=C)O1
InChi:InChI=1S/C5H8O4/c1-4-8-3-2-5(6,7)9-4/h6-7H,1-3H2
定義日:2023-05-31
最終更新日:2023-10-20
公開日:2023-10-25
識別子（ID）:2-methylidene-1,3-dioxane-4,4-diol
X3E
X3E
表記:(2~{S},6~{R})-2,6-dimethyl-1,3-dioxane-4,4-diol
組成式:C6 H12 O4
SMILES:C[CH]1CC(O)(O)O[CH](C)O1
InChi:InChI=1S/C6H12O4/c1-4-3-6(7,8)10-5(2)9-4/h4-5,7-8H,3H2,1-2H3/t4-,5+/m1/s1
定義日:2023-05-31
最終更新日:2023-10-20
公開日:2023-10-25
識別子（ID）:(2~{S},6~{R})-2,6-dimethyl-1,3-dioxane-4,4-diol
X3T
X3T
表記:cyclohexa-2,5-diene-1,1-diol
組成式:C6 H8 O2
SMILES:OC1(O)C=CCC=C1
InChi:InChI=1S/C6H8O2/c7-6(8)4-2-1-3-5-6/h2-5,7-8H,1H2
定義日:2023-05-31
最終更新日:2023-10-20
公開日:2023-10-25
識別子（ID）:cyclohexa-2,5-diene-1,1-diol
WQF
WQF
表記:(2S)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]but-3-enoic acid
組成式:C12 H17 N2 O7 P
SMILES:Oc1c(CNC(C=C)C(=O)O)c(cnc1C)COP(=O)(O)O
InChi:InChI=1S/C12H17N2O7P/c1-3-10(12(16)17)14-5-9-8(6-21-22(18,19)20)4-13-7(2)11(9)15/h3-4,10,14-15H,1,5-6H2,2H3,(H,16,17)(H2,18,19,20)/t10-/m0/s1
定義日:2022-10-12
最終更新日:2023-10-20
公開日:2023-10-25
識別子（ID）:(2S)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]but-3-enoic acid

222415

件を2024-07-10に公開中

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