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Y6G
Y6G
表記:2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-imidazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide
組成式:C22 H18 N6 O S
SMILES:O=C(Cn1nnc2ccccc12)N(Cc3cscc3)c4ccc(cc4)c5c[nH]cn5
InChi:InChI=1S/C22H18N6OS/c29-22(13-28-21-4-2-1-3-19(21)25-26-28)27(12-16-9-10-30-14-16)18-7-5-17(6-8-18)20-11-23-15-24-20/h1-11,14-15H,12-13H2,(H,23,24)
定義日:2021-02-08
最終更新日:2021-08-06
公開日:2021-08-11
識別子（ID）:2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-imidazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide
VED
VED
表記:3-[3-(carboxymethyl)-6-(3-methoxyphenyl)-1-benzofuran-2-yl]benzoic acid
組成式:C24 H18 O6
SMILES:c4(cccc(c2c(CC(O)=O)c1ccc(cc1o2)c3cc(ccc3)OC)c4)C(O)=O
InChi:InChI=1S/C24H18O6/c1-29-18-7-3-4-14(11-18)15-8-9-19-20(13-22(25)26)23(30-21(19)12-15)16-5-2-6-17(10-16)24(27)28/h2-12H,13H2,1H3,(H,25,26)(H,27,28)
定義日:2020-08-04
最終更新日:2021-08-06
公開日:2021-08-11
識別子（ID）:3-[3-(carboxymethyl)-6-(3-methoxyphenyl)-1-benzofuran-2-yl]benzoic acid
Y6J
Y6J
表記:~{N}-[4-[2-(benzotriazol-1-yl)ethanoyl-(thiophen-3-ylmethyl)amino]phenyl]cyclopropanecarboxamide
組成式:C23 H21 N5 O2 S
SMILES:O=C(Cn1nnc2ccccc12)N(Cc3cscc3)c4ccc(NC(=O)C5CC5)cc4
InChi:InChI=1S/C23H21N5O2S/c29-22(14-28-21-4-2-1-3-20(21)25-26-28)27(13-16-11-12-31-15-16)19-9-7-18(8-10-19)24-23(30)17-5-6-17/h1-4,7-12,15,17H,5-6,13-14H2,(H,24,30)
定義日:2021-02-08
最終更新日:2021-08-06
公開日:2021-08-11
識別子（ID）:~{N}-[4-[2-(benzotriazol-1-yl)ethanoyl-(thiophen-3-ylmethyl)amino]phenyl]cyclopropanecarboxamide
XPV
XPV
表記:(6-phenyl-1-benzofuran-3-yl)acetic acid
組成式:C16 H12 O3
SMILES:O=C(O)Cc1coc2cc(ccc12)c3ccccc3
InChi:InChI=1S/C16H12O3/c17-16(18)9-13-10-19-15-8-12(6-7-14(13)15)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,17,18)
定義日:2020-12-29
最終更新日:2021-08-06
公開日:2021-08-11
識別子（ID）:(6-phenyl-1-benzofuran-3-yl)acetic acid
XQ1
XQ1
表記:[6-(3-methoxyphenyl)-1-benzofuran-3-yl]acetic acid
組成式:C17 H14 O4
SMILES:c1ccc(OC)cc1c2ccc3c(coc3c2)CC(O)=O
InChi:InChI=1S/C17H14O4/c1-20-14-4-2-3-11(7-14)12-5-6-15-13(9-17(18)19)10-21-16(15)8-12/h2-8,10H,9H2,1H3,(H,18,19)
定義日:2020-12-29
最終更新日:2021-08-06
公開日:2021-08-11
識別子（ID）:[6-(3-methoxyphenyl)-1-benzofuran-3-yl]acetic acid
YQV
YQV
表記:methyl {(1S,2R)-2-[(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-{1-[(3-methoxy-1-{4-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptane-2-sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}ethyl]cyclopentyl}carbamate
組成式:C42 H59 F N6 O6 S
SMILES:O=S(=O)(c1ccc(cc1)N1CC(CN2CCC(CC2)C(CN2CCC2)(c2cccc(F)c2)C2CCCC2NC(=O)OC)(OC)C1)N1CC2CC1CN2C(=O)CC
InChi:InChI=1S/C42H59FN6O6S/c1-4-39(50)48-24-35-23-34(48)25-49(35)56(52,53)36-14-12-33(13-15-36)47-27-41(28-47,55-3)26-46-20-16-30(17-21-46)42(29-45-18-7-19-45,31-8-5-9-32(43)22-31)37-10-6-11-38(37)44-40(51)54-2/h5,8-9,12-15,22,30,34-35,37-38H,4,6-7,10-11,16-21,23-29H2,1-3H3,(H,44,51)/t34-,35-,37-,38-,42-/m0/s1
定義日:2021-03-24
最終更新日:2021-08-06
公開日:2021-08-11
識別子（ID）:methyl {(1S,2R)-2-[(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-{1-[(3-methoxy-1-{4-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptane-2-sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}ethyl]cyclopentyl}carbamate
YC1
YC1
表記:[5-[1-(phenylmethyl)indazol-3-yl]furan-2-yl]methanol
組成式:C19 H16 N2 O2
SMILES:OCc1oc(cc1)c2nn(Cc3ccccc3)c4ccccc24
InChi:InChI=1S/C19H16N2O2/c22-13-15-10-11-18(23-15)19-16-8-4-5-9-17(16)21(20-19)12-14-6-2-1-3-7-14/h1-11,22H,12-13H2
定義日:2020-10-15
最終更新日:2021-08-06
公開日:2021-08-11
識別子（ID）:[5-[1-(phenylmethyl)indazol-3-yl]furan-2-yl]methanol
ZH7
ZH7
表記:(3~{E},5~{E},7~{E},9~{R},10~{R},11~{E},13~{E},17~{S},18~{S},20~{S})-18-methoxy-20-[(~{R})-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[(2~{R})-3-methoxy-2-[(2~{R},4~{S},5~{S},6~{S})-5-[(2~{S},4~{R},5~{R},6~{R})-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-4,6-dimethyl-4-oxidanyl-oxan-2-yl]oxy-propyl]-3,5-dimethyl-2,4-bis(oxidanyl)oxan-2-yl]-oxidanyl-methyl]-10-[(2~{R},3~{S},4~{S},5~{R},6~{S})-5-methoxy-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-3,5,7,9,13-pentamethyl-17-oxidanyl-1-oxacycloicosa-3,5,7,11,13-pentaen-2-one
組成式:C58 H96 O21
SMILES:OC(C1CC(OC)C(O)CCC=C(C)C=CC(OC2OC(C)C(OC)C(O)C2O)C(C)C=C(C)C=C(C)C=C(C)C(=O)O1)C1(O)OC(CC(COC)OC2CC(C)(O)C(OC3CC(OC)C(O)C(C)O3)C(C)O2)C(C)C(O)C1C
InChi:InChI=1S/C58H96O21/c1-29-17-16-18-40(59)43(69-13)25-45(76-55(65)33(5)23-31(3)21-30(2)22-32(4)41(20-19-29)77-56-51(63)50(62)52(71-15)37(9)74-56)53(64)58(67)35(7)48(60)34(6)42(79-58)24-39(28-68-12)75-47-27-57(11,66)54(38(10)73-47)78-46-26-44(70-14)49(61)36(8)72-46/h17,19-23,32,34-54,56,59-64,66-67H,16,18,24-28H2,1-15H3/b20-19+,29-17+,30-22+,31-21+,33-23+/t32-,34+,35-,36-,37+,38+,39-,40+,41-,42-,43+,44-,45+,46+,47+,48+,49-,50+,51+,52+,53-,54+,56+,57+,58-/m1/s1
別名:Apoptolidin A
定義日:2021-04-27
最終更新日:2021-08-06
公開日:2021-08-11
識別子（ID）:(3E,5E,7E,9R,10R,11E,13E,17S,18S,20S)-20-[(R)-{(2R,3R,4S,5R,6R)-2,4-dihydroxy-6-[(2R)-2-{[(2R,4S,5S,6S)-4-hydroxy-5-{[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4,6-dimethyloxan-2-yl]oxy}-3-methoxypropyl]-3,5-dimethyloxan-2-yl}(hydroxy)methyl]-10-{[(2R,3S,4S,5R,6S)-3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl]oxy}-17-hydroxy-18-methoxy-3,5,7,9,13-pentamethyl-1-oxacycloicosa-3,5,7,11,13-pentaen-2-one (non-preferred name)
ZHD
ZHD
表記:(3~{E},5~{Z},7~{E},9~{R},10~{S},11~{E},13~{E},15~{E},17~{R},18~{S},20~{S})-20-[(1~{R})-1-[(2~{S},3~{R},4~{R},5~{S},6~{R})-5-[(2~{S},4~{S},5~{S},6~{R})-5-[(2~{S},4~{R},5~{R},6~{R})-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-4-oxidanyl-oxan-2-yl]oxy-3-methoxy-6-(3-methoxypropyl)-5-methyl-2,4-bis(oxidanyl)oxan-2-yl]ethyl]-5,18-dimethoxy-3,7,9,11,13,15-hexamethyl-10-[(2~{R},3~{S},4~{R},5~{R},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-17-oxidanyl-1-oxacycloicosa-3,5,7,11,13,15-hexaen-2-one
組成式:C59 H96 O22
SMILES:CC1(O)CC(OC(C)C1O)OC1C(O)CC(OC1C)OC1(C)C(CCCOC)OC(O)(C(C)C2CC(OC)C(O)C=C(C)C=C(C)C=C(C)C(OC3OC(C)C(O)C(O)C3O)C(C)C=C(C)C=C(OC)C=C(C)C(=O)O2)C(OC)C1O
InChi:InChI=1S/C59H96O22/c1-29-20-30(2)24-40(60)43(72-15)27-42(77-55(67)34(6)25-39(71-14)23-31(3)22-33(5)50(32(4)21-29)79-56-49(64)48(63)47(62)36(8)76-56)35(7)59(69)54(73-16)53(66)58(12,44(80-59)18-17-19-70-13)81-45-26-41(61)51(37(9)74-45)78-46-28-57(11,68)52(65)38(10)75-46/h20-25,33,35-38,40-54,56,60-66,68-69H,17-19,26-28H2,1-16H3/b29-20+,30-24+,31-22+,32-21+,34-25+,39-23-/t33-,35-,36+,37-,38-,40-,41+,42+,43+,44-,45+,46+,47+,48-,49+,50-,51-,52-,53-,54-,56+,57-,58-,59+/m1/s1
別名:Ammocidin A
定義日:2021-04-27
最終更新日:2021-08-06
公開日:2021-08-11
識別子（ID）:(3E,5Z,7E,9R,10S,11E,13E,15E,17R,18S,20S)-20-{(1R)-1-[(2S,3R,4R,5S,6R)-5-{[(2S,4S,5S,6R)-5-{[(2S,4R,5R,6R)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-2,4-dihydroxy-3-methoxy-6-(3-methoxypropyl)-5-methyloxan-2-yl]ethyl}-17-hydroxy-5,18-dimethoxy-3,7,9,11,13,15-hexamethyl-10-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-1-oxacycloicosa-3,5,7,11,13,15-hexaen-2-one (non-preferred name)
VJV
VJV
表記:(1S)-N-{(1S)-7,7-dihydroxy-1-[4-(2-methylquinolin-6-yl)-1H-imidazol-2-yl]nonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide
組成式:C31 H43 N5 O3
SMILES:O=C(C2C1(CCN(C)CC1)C2)NC(c3nc(cn3)c5cc4ccc(C)nc4cc5)CCCCCC(CC)(O)O
InChi:InChI=1S/C31H43N5O3/c1-4-31(38,39)13-7-5-6-8-26(35-29(37)24-19-30(24)14-16-36(3)17-15-30)28-32-20-27(34-28)23-11-12-25-22(18-23)10-9-21(2)33-25/h9-12,18,20,24,26,38-39H,4-8,13-17,19H2,1-3H3,(H,32,34)(H,35,37)/t24-,26+/m1/s1
定義日:2020-08-17
最終更新日:2021-08-06
公開日:2021-08-11
識別子（ID）:(1S)-N-{(1S)-7,7-dihydroxy-1-[4-(2-methylquinolin-6-yl)-1H-imidazol-2-yl]nonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide
YG7
YG7
表記:5-{4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl}-1-benzofuran-2-carboxamide
組成式:C26 H27 N5 O2
SMILES:N#Cc1ccc2[NH]cc(CCCCN3CCN(CC3)c3cc4cc(oc4cc3)C(N)=O)c2c1
InChi:InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)
定義日:2021-03-02
最終更新日:2021-08-06
公開日:2021-08-11
識別子（ID）:5-{4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl}-1-benzofuran-2-carboxamide
G9U
G9U
表記:(6R)-6-[(6-bromanyl-1H-indol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
組成式:C20 H18 Br N O
SMILES:Brc1ccc2c(C[CH]3CCCc4ccccc4C3=O)c[nH]c2c1
InChi:InChI=1S/C20H18BrNO/c21-16-8-9-17-15(12-22-19(17)11-16)10-14-6-3-5-13-4-1-2-7-18(13)20(14)23/h1-2,4,7-9,11-12,14,22H,3,5-6,10H2/t14-/m1/s1
定義日:2020-08-10
最終更新日:2021-08-06
公開日:2021-08-11
識別子（ID）:(6~{R})-6-[(6-bromanyl-1~{H}-indol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
G9X
G9X
表記:(6R)-6-[(6-chloranyl-1H-indol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
組成式:C20 H18 Cl N O
SMILES:Clc1ccc2c(C[CH]3CCCc4ccccc4C3=O)c[nH]c2c1
InChi:InChI=1S/C20H18ClNO/c21-16-8-9-17-15(12-22-19(17)11-16)10-14-6-3-5-13-4-1-2-7-18(13)20(14)23/h1-2,4,7-9,11-12,14,22H,3,5-6,10H2/t14-/m1/s1
定義日:2020-08-11
最終更新日:2021-08-06
公開日:2021-08-11
識別子（ID）:(6~{R})-6-[(6-chloranyl-1~{H}-indol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
GC6
GC6
表記:[(3R)-3-azanylpiperidin-1-yl]-[1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indol-3-yl]methanone
組成式:C26 H30 N6 O2
SMILES:N[CH]1CCCN(C1)C(=O)c2cn(c3ccnc(N)n3)c4cc(ccc24)C#CC5(O)CCCCC5
InChi:InChI=1S/C26H30N6O2/c27-19-5-4-14-31(16-19)24(33)21-17-32(23-9-13-29-25(28)30-23)22-15-18(6-7-20(21)22)8-12-26(34)10-2-1-3-11-26/h6-7,9,13,15,17,19,34H,1-5,10-11,14,16,27H2,(H2,28,29,30)/t19-/m1/s1
定義日:2020-08-18
最終更新日:2021-08-06
公開日:2021-08-11
識別子（ID）:[(3~{R})-3-azanylpiperidin-1-yl]-[1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indol-3-yl]methanone
GCC
GCC
表記:[1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indol-3-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
組成式:C26 H30 N6 O2
SMILES:C[CH]1CN(CCN1)C(=O)c2cn(c3ccnc(N)n3)c4cc(ccc24)C#CC5(O)CCCCC5
InChi:InChI=1S/C26H30N6O2/c1-18-16-31(14-13-28-18)24(33)21-17-32(23-8-12-29-25(27)30-23)22-15-19(5-6-20(21)22)7-11-26(34)9-3-2-4-10-26/h5-6,8,12,15,17-18,28,34H,2-4,9-10,13-14,16H2,1H3,(H2,27,29,30)/t18-/m0/s1
定義日:2020-08-18
最終更新日:2021-08-06
公開日:2021-08-11
識別子（ID）:[1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indol-3-yl]-[(3~{S})-3-methylpiperazin-1-yl]methanone
J49
J49
表記:(2S)-2-[[4-[(4-azanyl-6-oxidanyl-pyrimidin-5-yl)carbamoylamino]phenyl]carbonylamino]pentanedioic acid
組成式:C17 H18 N6 O7
SMILES:Nc1ncnc(O)c1NC(=O)Nc2ccc(cc2)C(=O)N[CH](CCC(O)=O)C(O)=O
InChi:InChI=1S/C17H18N6O7/c18-13-12(15(27)20-7-19-13)23-17(30)21-9-3-1-8(2-4-9)14(26)22-10(16(28)29)5-6-11(24)25/h1-4,7,10H,5-6H2,(H,22,26)(H,24,25)(H,28,29)(H2,21,23,30)(H3,18,19,20,27)/t10-/m0/s1
別名:(4-(3-(4-amino-6-hydroxypyrimidin-5-yl)ureido)benzoyl)-L-glutamic acid
定義日:2021-04-05
最終更新日:2021-08-06
公開日:2021-08-11
識別子（ID）:(2~{S})-2-[[4-[(4-azanyl-6-oxidanyl-pyrimidin-5-yl)carbamoylamino]phenyl]carbonylamino]pentanedioic acid
J4C
J4C
表記:(2S)-2-[[4-[[1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]phenyl]carbonylamino]pentanedioic acid
組成式:C26 H24 Cl2 N6 O7
SMILES:CN1C(=O)N(Cc2ccc(Cl)c(Cl)c2)C(=O)c3n(C)c(Nc4ccc(cc4)C(=O)N[CH](CCC(O)=O)C(O)=O)nc13
InChi:InChI=1S/C26H24Cl2N6O7/c1-32-20-21(33(2)26(41)34(23(20)38)12-13-3-8-16(27)17(28)11-13)31-25(32)29-15-6-4-14(5-7-15)22(37)30-18(24(39)40)9-10-19(35)36/h3-8,11,18H,9-10,12H2,1-2H3,(H,29,31)(H,30,37)(H,35,36)(H,39,40)/t18-/m0/s1
別名:(4-((1-(3,4-dichlorobenzyl)-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)benzoyl)-L-glutamic acid
定義日:2021-04-05
最終更新日:2021-08-06
公開日:2021-08-11
識別子（ID）:(2~{S})-2-[[4-[[1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]phenyl]carbonylamino]pentanedioic acid
J4F
J4F
表記:3-[4-[[1-[(4-chloranyl-1H-indol-2-yl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]-6-methyl-pyrimidin-2-yl]propanoic acid
組成式:C24 H23 Cl N8 O4
SMILES:CN1C(=O)N(Cc2[nH]c3cccc(Cl)c3c2)C(=O)c4n(C)c(Nc5cc(C)nc(CCC(O)=O)n5)nc14
InChi:InChI=1S/C24H23ClN8O4/c1-12-9-18(28-17(26-12)7-8-19(34)35)29-23-30-21-20(31(23)2)22(36)33(24(37)32(21)3)11-13-10-14-15(25)5-4-6-16(14)27-13/h4-6,9-10,27H,7-8,11H2,1-3H3,(H,34,35)(H,26,28,29,30)
別名:3-(4-((1-((4-chloro-1H-indol-2-yl)methyl)-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)-6-methylpyrimidin-2-yl)propanoic acid
定義日:2021-04-05
最終更新日:2021-08-06
公開日:2021-08-11
識別子（ID）:3-[4-[[1-[(4-chloranyl-1~{H}-indol-2-yl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]-6-methyl-pyrimidin-2-yl]propanoic acid
J4L
J4L
表記:1-(3,4-dichlorobenzyl)-8-(((1R,4R)-4-hydroxycyclohexyl)amino)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
組成式:C20 H23 Cl2 N5 O3
SMILES:CN1C(=O)N(Cc2ccc(Cl)c(Cl)c2)C(=O)c3n(C)c(N[CH]4CC[CH](O)CC4)nc13
InChi:InChI=1S/C20H23Cl2N5O3/c1-25-16-17(24-19(25)23-12-4-6-13(28)7-5-12)26(2)20(30)27(18(16)29)10-11-3-8-14(21)15(22)9-11/h3,8-9,12-13,28H,4-7,10H2,1-2H3,(H,23,24)/t12-,13-
定義日:2021-04-05
最終更新日:2021-08-06
公開日:2021-08-11
識別子（ID）:1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-8-[(4-oxidanylcyclohexyl)amino]purine-2,6-dione
44T
44T
表記:7-[5-S-(4-{[(4-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
組成式:C23 H32 N6 O3 S
SMILES:CCc1ccncc1CNCCCCSCC1OC(n2ccc3c(N)ncnc32)C(O)C1O
InChi:InChI=1S/C23H32N6O3S/c1-2-15-5-8-26-12-16(15)11-25-7-3-4-10-33-13-18-19(30)20(31)23(32-18)29-9-6-17-21(24)27-14-28-22(17)29/h5-6,8-9,12,14,18-20,23,25,30-31H,2-4,7,10-11,13H2,1H3,(H2,24,27,28)/t18-,19-,20-,23-/m1/s1
定義日:2021-07-07
最終更新日:2021-08-06
公開日:2021-08-11
識別子（ID）:7-[5-S-(4-{[(4-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
GZO
GZO
表記:methyl ~{N}-[4,6-bis(azanyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]-~{N}-methyl-carbamate
組成式:C20 H19 F N8 O2
SMILES:COC(=O)N(C)c1c(N)nc(nc1N)c2nn(Cc3ccccc3F)c4ncccc24
InChi:InChI=1S/C20H19FN8O2/c1-28(20(30)31-2)15-16(22)25-18(26-17(15)23)14-12-7-5-9-24-19(12)29(27-14)10-11-6-3-4-8-13(11)21/h3-9H,10H2,1-2H3,(H4,22,23,25,26)
定義日:2020-10-15
最終更新日:2021-08-06
公開日:2021-08-11
識別子（ID）:methyl ~{N}-[4,6-bis(azanyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]-~{N}-methyl-carbamate
H56
H56
表記:(3~{R},4~{S})-1-(4-fluorophenyl)-3-[(3~{S})-3-(4-fluorophenyl)-3-oxidanyl-propyl]-4-(4-hydroxyphenyl)azetidin-2-one
組成式:C24 H21 F2 N O3
SMILES:O[CH](CC[CH]1[CH](N(C1=O)c2ccc(F)cc2)c3ccc(O)cc3)c4ccc(F)cc4
InChi:InChI=1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22+,23-/m1/s1
定義日:2020-11-11
最終更新日:2021-08-06
公開日:2021-08-11
識別子（ID）:(3~{R},4~{S})-1-(4-fluorophenyl)-3-[(3~{S})-3-(4-fluorophenyl)-3-oxidanyl-propyl]-4-(4-hydroxyphenyl)azetidin-2-one
5ZB
5ZB
表記:(2R)-2-{acetyl[4-(1H-pyrrol-1-yl)phenyl]amino}-N-[(1S)-1-phenylethyl]-2-(pyridin-3-yl)acetamide
組成式:C27 H26 N4 O2
SMILES:CC(=O)N(c1ccc(cc1)n1cccc1)C(c1cccnc1)C(=O)NC(C)c1ccccc1
InChi:InChI=1S/C27H26N4O2/c1-20(22-9-4-3-5-10-22)29-27(33)26(23-11-8-16-28-19-23)31(21(2)32)25-14-12-24(13-15-25)30-17-6-7-18-30/h3-20,26H,1-2H3,(H,29,33)/t20-,26+/m0/s1
定義日:2021-07-29
最終更新日:2021-08-06
公開日:2021-08-11
識別子（ID）:(2R)-2-{acetyl[4-(1H-pyrrol-1-yl)phenyl]amino}-N-[(1S)-1-phenylethyl]-2-(pyridin-3-yl)acetamide
ON6
ON6
表記:(2~{Z})-6-[[2,6-bis(chloranyl)phenyl]methylsulfonyl]-2-[[4-oxidanyl-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]methylidene]-4~{H}-1,4-benzothiazin-3-one
組成式:C22 H15 Cl2 N2 O6 S2
SMILES:Oc1ccc(C=C2Sc3ccc(cc3NC2=O)[S](=O)(=O)Cc4c(Cl)cccc4Cl)cc1[N](O)=O
InChi:InChI=1S/C22H15Cl2N2O6S2/c23-15-2-1-3-16(24)14(15)11-34(31,32)13-5-7-20-17(10-13)25-22(28)21(33-20)9-12-4-6-19(27)18(8-12)26(29)30/h1-10,27H,11H2,(H,25,28)(H,29,30)/b21-9-
定義日:2020-12-16
最終更新日:2021-08-06
公開日:2021-08-11
識別子（ID）:(2~{Z})-6-[[2,6-bis(chloranyl)phenyl]methylsulfonyl]-2-[[4-oxidanyl-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]methylidene]-4~{H}-1,4-benzothiazin-3-one
QS8
QS8
表記:[[(3~{R},6~{R})-6-fluoranyl-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate
組成式:C6 H11 F N2 O5 S
SMILES:O[S](=O)(=O)ON[CH]1CC[CH](F)N(C1)C=O
InChi:InChI=1S/C6H11FN2O5S/c7-6-2-1-5(3-9(6)4-10)8-14-15(11,12)13/h4-6,8H,1-3H2,(H,11,12,13)/t5-,6+/m1/s1
定義日:2020-07-31
最終更新日:2021-08-06
公開日:2021-08-11
識別子（ID）:[[(3~{R},6~{R})-6-fluoranyl-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate

222415

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