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4SI
4SI
表記:4'-chloro-3'-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl][1,1'-biphenyl]-4-carboxamide
組成式:C23 H22 Cl N5 O
SMILES:CCc1nc(N)nc(N)c1C#CC(C)c1cc(ccc1Cl)c1ccc(cc1)C(N)=O
InChi:InChI=1S/C23H22ClN5O/c1-3-20-17(21(25)29-23(27)28-20)10-4-13(2)18-12-16(9-11-19(18)24)14-5-7-15(8-6-14)22(26)30/h5-9,11-13H,3H2,1-2H3,(H2,26,30)(H4,25,27,28,29)/t13-/m0/s1
定義日:2021-07-14
最終更新日:2022-05-20
公開日:2022-05-25
識別子（ID）:4'-chloro-3'-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl][1,1'-biphenyl]-4-carboxamide
KWL
KWL
表記:1-[4-(piperazin-1-yl)pyridin-3-yl]-N-[(quinoxalin-6-yl)methyl]methanamine
組成式:C19 H22 N6
SMILES:c1nccc(c1CNCc1cc2nccnc2cc1)N1CCNCC1
InChi:InChI=1S/C19H22N6/c1-2-17-18(24-6-5-23-17)11-15(1)12-22-14-16-13-21-4-3-19(16)25-9-7-20-8-10-25/h1-6,11,13,20,22H,7-10,12,14H2
定義日:2022-02-17
最終更新日:2022-05-20
公開日:2022-05-25
識別子（ID）:1-[4-(piperazin-1-yl)pyridin-3-yl]-N-[(quinoxalin-6-yl)methyl]methanamine
KWU
KWU
表記:N-methyl-1-(quinoxalin-6-yl)methanamine
組成式:C10 H11 N3
SMILES:CNCc1cc2nccnc2cc1
InChi:InChI=1S/C10H11N3/c1-11-7-8-2-3-9-10(6-8)13-5-4-12-9/h2-6,11H,7H2,1H3
定義日:2022-02-17
最終更新日:2022-05-20
公開日:2022-05-25
識別子（ID）:N-methyl-1-(quinoxalin-6-yl)methanamine
KX3
KX3
表記:1-(quinoxalin-6-yl)methanamine
組成式:C9 H9 N3
SMILES:NCc1cc2nccnc2cc1
InChi:InChI=1S/C9H9N3/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-5H,6,10H2
定義日:2022-02-17
最終更新日:2022-05-20
公開日:2022-05-25
識別子（ID）:1-(quinoxalin-6-yl)methanamine
KXC
KXC
表記:6-methylquinoxaline
組成式:C13 H18 N4
SMILES:CN(C)CCNCc1cc2nccnc2cc1
InChi:InChI=1S/C13H18N4/c1-17(2)8-7-14-10-11-3-4-12-13(9-11)16-6-5-15-12/h3-6,9,14H,7-8,10H2,1-2H3
定義日:2022-02-17
最終更新日:2022-05-20
公開日:2022-05-25
識別子（ID）:N~1~,N~1~-dimethyl-N~2~-[(quinoxalin-6-yl)methyl]ethane-1,2-diamine
AUJ
AUJ
表記:2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[(1~{S})-1-(dioxidanyl)-1-oxidanyl-ethyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate
組成式:C14 H23 N4 O10 P2 S
SMILES:Cc1ncc(Cn2c(C)c(CCO[P](O)(=O)O[P](O)(O)=O)sc2[C](C)(O)OO)c(N)n1
InChi:InChI=1S/C14H23N4O10P2S/c1-8-11(4-5-26-30(24,25)28-29(21,22)23)31-13(14(3,19)27-20)18(8)7-10-6-16-9(2)17-12(10)15/h6,19-20H,4-5,7H2,1-3H3,(H,24,25)(H2,15,16,17)(H2,21,22,23)/t14-/m0/s1
定義日:2017-07-26
最終更新日:2022-05-19
公開日:2018-02-14
識別子（ID）:2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[(1S)-1-(dioxidanyl)-1-oxidanyl-ethyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate
FFI
FFI
表記:S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-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]ethyl] docosanethioate
組成式:C43 H78 N7 O17 P3 S
SMILES:CCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23
InChi:InChI=1S/C43H78N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h30-32,36-38,42,53-54H,4-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/t32-,36-,37-,38+,42-/m1/s1
別名:Behenoyl-CoA
定義日:2022-04-24
最終更新日:2022-05-19
公開日:2022-05-18
識別子（ID）:~{S}-[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]ethyl] docosanethioate
J9N
J9N
表記:3-thiophen-2-yl-1H-pyrazol-5-amine
組成式:C7 H7 N3 S
SMILES:Nc1[nH]nc(c1)c2sccc2
InChi:InChI=1S/C7H7N3S/c8-7-4-5(9-10-7)6-2-1-3-11-6/h1-3H,4H2,(H2,8,10)
別名:5-amino-3-(2-thienyl)-pyrazole
定義日:2019-02-12
最終更新日:2022-05-16
公開日:2020-03-04
識別子（ID）:3-thiophen-2-yl-1~{H}-pyrazol-5-amine
NWO
NWO
表記:(1S,3S)-3-methylcyclohexan-1-ol
組成式:C7 H14 O
SMILES:CC1CC(O)CCC1
InChi:InChI=1S/C7H14O/c1-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3/t6-,7-/m0/s1
定義日:2022-04-12
最終更新日:2022-05-13
公開日:2022-05-18
識別子（ID）:(1S,3S)-3-methylcyclohexan-1-ol
WGR
WGR
表記:dideoxymycobactin-838
組成式:C47 H75 N5 O8
SMILES:O=C(NC(CCCCNC(=O)/C=CCCCCCCCCCCCCCCCCC)C(=O)OC(C)CC(=O)NC1CCCCNC1=O)C1(C)N=C(OC1)c1ccccc1O
InChi:InChI=1S/C47H75N5O8/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31-41(54)48-32-25-24-29-39(45(57)60-36(2)34-42(55)50-38-28-23-26-33-49-43(38)56)51-46(58)47(3)35-59-44(52-47)37-27-21-22-30-40(37)53/h20-22,27,30-31,36,38-39,53H,4-19,23-26,28-29,32-35H2,1-3H3,(H,48,54)(H,49,56)(H,50,55)(H,51,58)/b31-20-/t36-,38+,39+,47+/m1/s1
別名:(2R)-4-oxo-4-{[(3S)-2-oxoazepan-3-yl]amino}butan-2-yl N~2~-[(4S)-2-(2-hydroxyphenyl)-4-methyl-4,5-dihydro-1,3-oxazole-4-carbonyl]-N~6~-[(2Z)-icos-2-enoyl]-L-lysinate
定義日:2021-08-27
最終更新日:2022-05-13
公開日:2022-05-18
識別子（ID）:(2R)-4-oxo-4-{[(3S)-2-oxoazepan-3-yl]amino}butan-2-yl N~2~-[(4S)-2-(2-hydroxyphenyl)-4-methyl-4,5-dihydro-1,3-oxazole-4-carbonyl]-N~6~-[(2Z)-icos-2-enoyl]-L-lysinate
5IH
5IH
表記:3,4-dimethyl-7-[[(3~{S})-piperidin-3-yl]methoxy]chromen-2-one
組成式:C17 H21 N O3
SMILES:CC1=C(C)c2ccc(OC[CH]3CCCNC3)cc2OC1=O
InChi:InChI=1S/C17H21NO3/c1-11-12(2)17(19)21-16-8-14(5-6-15(11)16)20-10-13-4-3-7-18-9-13/h5-6,8,13,18H,3-4,7,9-10H2,1-2H3/t13-/m0/s1
定義日:2021-07-12
最終更新日:2022-05-13
公開日:2022-05-18
識別子（ID）:3,4-dimethyl-7-[[(3~{S})-piperidin-3-yl]methoxy]chromen-2-one
ZMS
ZMS
表記:N,N'-{oxybis[(ethane-2,1-diyl)oxy(1-oxoethane-2,1-diyl)piperidine-1,4-diyl]}bis{4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluorobenzamide}
組成式:C62 H76 Cl2 F2 N14 O11 S2
SMILES:CC(C)(C)S(=O)(=O)Nc1cc(ccc1Cl)Nc1nc(ncc1C)Nc1ccc(c(F)c1)C(=O)NC1CCN(CC1)C(=O)COCCOCCOCC(=O)N1CCC(NC(=O)c2ccc(Nc3nc(Nc4ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c4)c(C)cn3)cc2F)CC1
InChi:InChI=1S/C62H76Cl2F2N14O11S2/c1-37-33-67-59(75-55(37)69-43-11-15-47(63)51(31-43)77-92(85,86)61(3,4)5)73-41-9-13-45(49(65)29-41)57(83)71-39-17-21-79(22-18-39)53(81)35-90-27-25-89-26-28-91-36-54(82)80-23-19-40(20-24-80)72-58(84)46-14-10-42(30-50(46)66)74-60-68-34-38(2)56(76-60)70-44-12-16-48(64)52(32-44)78-93(87,88)62(6,7)8/h9-16,29-34,39-40,77-78H,17-28,35-36H2,1-8H3,(H,71,83)(H,72,84)(H2,67,69,73,75)(H2,68,70,74,76)
定義日:2021-05-10
最終更新日:2022-05-13
公開日:2022-05-18
識別子（ID）:N,N'-{oxybis[(ethane-2,1-diyl)oxy(1-oxoethane-2,1-diyl)piperidine-1,4-diyl]}bis{4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluorobenzamide}
ZMV
ZMV
表記:N,N'-[(1,16-dioxo-4,7,10,13-tetraoxahexadecane-1,16-diyl)di(piperidine-1,4-diyl)]bis{4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluorobenzamide}
組成式:C66 H84 Cl2 F2 N14 O12 S2
SMILES:CC(C)(C)S(=O)(=O)Nc1cc(ccc1Cl)Nc1nc(ncc1C)Nc1ccc(c(F)c1)C(=O)NC1CCN(CC1)C(=O)CCOCCOCCOCCOCCC(=O)N1CCC(NC(=O)c2ccc(Nc3nc(Nc4ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c4)c(C)cn3)cc2F)CC1
InChi:InChI=1S/C66H84Cl2F2N14O12S2/c1-41-39-71-63(79-59(41)73-47-11-15-51(67)55(37-47)81-97(89,90)65(3,4)5)77-45-9-13-49(53(69)35-45)61(87)75-43-17-23-83(24-18-43)57(85)21-27-93-29-31-95-33-34-96-32-30-94-28-22-58(86)84-25-19-44(20-26-84)76-62(88)50-14-10-46(36-54(50)70)78-64-72-40-42(2)60(80-64)74-48-12-16-52(68)56(38-48)82-98(91,92)66(6,7)8/h9-16,35-40,43-44,81-82H,17-34H2,1-8H3,(H,75,87)(H,76,88)(H2,71,73,77,79)(H2,72,74,78,80)
定義日:2021-05-10
最終更新日:2022-05-13
公開日:2022-05-18
識別子（ID）:N,N'-[(1,16-dioxo-4,7,10,13-tetraoxahexadecane-1,16-diyl)di(piperidine-1,4-diyl)]bis{4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluorobenzamide}
PV9
PV9
表記:Pitavastatin
組成式:C25 H24 F N O4
SMILES:O=C(O)CC(O)CC(O)/C=C/c1c(c2ccccc2nc1C1CC1)c1ccc(F)cc1
InChi:InChI=1S/C25H24FNO4/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31)/b12-11+/t18-,19-/m1/s1
別名:(3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
定義日:2022-04-27
最終更新日:2022-05-13
公開日:2022-05-18
識別子（ID）:(3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
2OI
2OI
表記:2-[(4-chlorophenyl)methyl]-5-methoxy-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one
組成式:C19 H17 Cl N2 O2
SMILES:COc1ccc2C(=O)NCCc3c(Cc4ccc(Cl)cc4)[nH]c1c23
InChi:InChI=1S/C19H17ClN2O2/c1-24-16-7-6-14-17-13(8-9-21-19(14)23)15(22-18(16)17)10-11-2-4-12(20)5-3-11/h2-7,22H,8-10H2,1H3,(H,21,23)
定義日:2021-07-09
最終更新日:2022-05-13
公開日:2022-05-18
識別子（ID）:2-[(4-chlorophenyl)methyl]-5-methoxy-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one
2VI
2VI
表記:5-[bis(fluoranyl)methoxy]-2-[(4-chlorophenyl)methyl]-10-(3-methoxypropyl)-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one
組成式:C23 H23 Cl F2 N2 O3
SMILES:COCCCN1CCc2c(Cc3ccc(Cl)cc3)[nH]c4c(OC(F)F)ccc(C1=O)c24
InChi:InChI=1S/C23H23ClF2N2O3/c1-30-12-2-10-28-11-9-16-18(13-14-3-5-15(24)6-4-14)27-21-19(31-23(25)26)8-7-17(20(16)21)22(28)29/h3-8,23,27H,2,9-13H2,1H3
定義日:2021-07-09
最終更新日:2022-05-13
公開日:2022-05-18
識別子（ID）:5-[bis(fluoranyl)methoxy]-2-[(4-chlorophenyl)methyl]-10-(3-methoxypropyl)-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one
9GC
9GC
表記:2-[[1-methoxy-4-oxidanyl-7-[4-(phenylmethyl)phenoxy]isoquinolin-3-yl]carbonylamino]ethanoic acid
組成式:C26 H22 N2 O6
SMILES:COc1nc(C(=O)NCC(O)=O)c(O)c2ccc(Oc3ccc(Cc4ccccc4)cc3)cc12
InChi:InChI=1S/C26H22N2O6/c1-33-26-21-14-19(11-12-20(21)24(31)23(28-26)25(32)27-15-22(29)30)34-18-9-7-17(8-10-18)13-16-5-3-2-4-6-16/h2-12,14,31H,13,15H2,1H3,(H,27,32)(H,29,30)
定義日:2022-01-14
最終更新日:2022-05-13
公開日:2022-05-18
識別子（ID）:2-[[1-methoxy-4-oxidanyl-7-[4-(phenylmethyl)phenoxy]isoquinolin-3-yl]carbonylamino]ethanoic acid
9IF
9IF
表記:2-[[1-methoxy-4-oxidanyl-7-(4-phenoxyphenoxy)isoquinolin-3-yl]carbonylamino]ethanoic acid
組成式:C25 H20 N2 O7
SMILES:COc1nc(C(=O)NCC(O)=O)c(O)c2ccc(Oc3ccc(Oc4ccccc4)cc3)cc12
InChi:InChI=1S/C25H20N2O7/c1-32-25-20-13-18(11-12-19(20)23(30)22(27-25)24(31)26-14-21(28)29)34-17-9-7-16(8-10-17)33-15-5-3-2-4-6-15/h2-13,30H,14H2,1H3,(H,26,31)(H,28,29)
定義日:2022-01-18
最終更新日:2022-05-13
公開日:2022-05-18
識別子（ID）:2-[[1-methoxy-4-oxidanyl-7-(4-phenoxyphenoxy)isoquinolin-3-yl]carbonylamino]ethanoic acid
9II
9II
表記:2-[[1-methoxy-4-oxidanyl-7-(4-phenylphenoxy)isoquinolin-3-yl]carbonylamino]ethanoic acid
組成式:C25 H20 N2 O6
SMILES:COc1nc(C(=O)NCC(O)=O)c(O)c2ccc(Oc3ccc(cc3)c4ccccc4)cc12
InChi:InChI=1S/C25H20N2O6/c1-32-25-20-13-18(33-17-9-7-16(8-10-17)15-5-3-2-4-6-15)11-12-19(20)23(30)22(27-25)24(31)26-14-21(28)29/h2-13,30H,14H2,1H3,(H,26,31)(H,28,29)
定義日:2022-01-18
最終更新日:2022-05-13
公開日:2022-05-18
識別子（ID）:2-[[1-methoxy-4-oxidanyl-7-(4-phenylphenoxy)isoquinolin-3-yl]carbonylamino]ethanoic acid
9IL
9IL
表記:2-[[7-[2,6-dimethyl-4-(phenylcarbonyl)phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid
組成式:C28 H24 N2 O7
SMILES:COc1nc(C(=O)NCC(O)=O)c(O)c2ccc(Oc3c(C)cc(cc3C)C(=O)c4ccccc4)cc12
InChi:InChI=1S/C28H24N2O7/c1-15-11-18(24(33)17-7-5-4-6-8-17)12-16(2)26(15)37-19-9-10-20-21(13-19)28(36-3)30-23(25(20)34)27(35)29-14-22(31)32/h4-13,34H,14H2,1-3H3,(H,29,35)(H,31,32)
定義日:2022-01-18
最終更新日:2022-05-13
公開日:2022-05-18
識別子（ID）:2-[[7-[2,6-dimethyl-4-(phenylcarbonyl)phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid
9IQ
9IQ
表記:2-[[7-[4-(3,5-dimethylphenyl)carbonyl-2,6-dimethyl-phenoxy]-1-ethoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid
組成式:C31 H30 N2 O7
SMILES:CCOc1nc(C(=O)NCC(O)=O)c(O)c2ccc(Oc3c(C)cc(cc3C)C(=O)c4cc(C)cc(C)c4)cc12
InChi:InChI=1S/C31H30N2O7/c1-6-39-31-24-14-22(7-8-23(24)28(37)26(33-31)30(38)32-15-25(34)35)40-29-18(4)12-21(13-19(29)5)27(36)20-10-16(2)9-17(3)11-20/h7-14,37H,6,15H2,1-5H3,(H,32,38)(H,34,35)
定義日:2022-01-18
最終更新日:2022-05-13
公開日:2022-05-18
識別子（ID）:2-[[7-[4-(3,5-dimethylphenyl)carbonyl-2,6-dimethyl-phenoxy]-1-ethoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid
9IT
9IT
表記:2-[[7-[2,6-dimethyl-4-(3-methylphenyl)carbonyl-phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid
組成式:C29 H26 N2 O7
SMILES:COc1nc(C(=O)NCC(O)=O)c(O)c2ccc(Oc3c(C)cc(cc3C)C(=O)c4cccc(C)c4)cc12
InChi:InChI=1S/C29H26N2O7/c1-15-6-5-7-18(10-15)25(34)19-11-16(2)27(17(3)12-19)38-20-8-9-21-22(13-20)29(37-4)31-24(26(21)35)28(36)30-14-23(32)33/h5-13,35H,14H2,1-4H3,(H,30,36)(H,32,33)
定義日:2022-01-18
最終更新日:2022-05-13
公開日:2022-05-18
識別子（ID）:2-[[7-[2,6-dimethyl-4-(3-methylphenyl)carbonyl-phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid
9IW
9IW
表記:2-[[1-ethoxy-7-[4-(3-fluoranyl-5-methoxy-phenyl)carbonyl-2,6-dimethyl-phenoxy]-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid
組成式:C30 H27 F N2 O8
SMILES:CCOc1nc(c(O)c2ccc(Oc3c(C)cc(cc3C)C(=O)c4cc(F)cc(OC)c4)cc12)C(=O)NCC(O)=O
InChi:InChI=1S/C30H27FN2O8/c1-5-40-30-23-13-20(6-7-22(23)27(37)25(33-30)29(38)32-14-24(34)35)41-28-15(2)8-17(9-16(28)3)26(36)18-10-19(31)12-21(11-18)39-4/h6-13,37H,5,14H2,1-4H3,(H,32,38)(H,34,35)
定義日:2022-01-18
最終更新日:2022-05-13
公開日:2022-05-18
識別子（ID）:2-[[1-ethoxy-7-[4-(3-fluoranyl-5-methoxy-phenyl)carbonyl-2,6-dimethyl-phenoxy]-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid
A0E
A0E
表記:methyl N-[(2-{4-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}phenyl)methyl]-beta-alaninate
組成式:C27 H30 F N7 O3
SMILES:Fc1cc(c(OC)cc1)N1CCN(CC1)c1ncnc2c1cnn2c1ccccc1CNCCC(=O)OC
InChi:InChI=1S/C27H30FN7O3/c1-37-24-8-7-20(28)15-23(24)33-11-13-34(14-12-33)26-21-17-32-35(27(21)31-18-30-26)22-6-4-3-5-19(22)16-29-10-9-25(36)38-2/h3-8,15,17-18,29H,9-14,16H2,1-2H3
定義日:2021-11-03
最終更新日:2022-05-13
公開日:2022-05-18
識別子（ID）:methyl N-[(2-{4-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}phenyl)methyl]-beta-alaninate
98U
98U
表記:3-O-acetyl-6-deoxy-alpha-L-galactopyranose
組成式:C8 H14 O6
SMILES:OC1C(OC(=O)C)C(O)C(OC1C)O
InChi:InChI=1S/C8H14O6/c1-3-5(10)7(14-4(2)9)6(11)8(12)13-3/h3,5-8,10-12H,1-2H3/t3-,5+,6-,7+,8+/m0/s1
定義日:2018-02-02
最終更新日:2022-05-13
公開日:2022-05-18
識別子（ID）:3-O-acetyl-6-deoxy-alpha-L-galactopyranose

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