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KJL
KJL
表記:Archazolid A
組成式:C42 H62 N2 O7 S
SMILES:O=C(OC(CC(C)C)c1nc(cs1)C1OC(=O)C(C)=CCC(C)=CC(O)C(C)C=C(C)C=C(C)C=CC(O)C(C)C(OC)C(C)=CC=CC1C)NC
InChi:InChI=1S/C42H62N2O7S/c1-25(2)20-37(50-42(48)43-11)40-44-34(24-52-40)39-30(7)15-13-14-29(6)38(49-12)33(10)35(45)19-17-26(3)21-28(5)22-32(9)36(46)23-27(4)16-18-31(8)41(47)51-39/h13-15,17-19,21-25,30,32-33,35-39,45-46H,16,20H2,1-12H3,(H,43,48)/b15-13+,19-17+,26-21-,27-23+,28-22-,29-14+,31-18+/t30-,32-,33-,35+,36+,37-,38+,39-/m0/s1
別名:(1S)-1-{4-[(2S,3S,4E,6E,8S,9S,10R,11E,13Z,15Z,17S,18S,19E,22E)-10,18-dihydroxy-8-methoxy-3,7,9,13,15,17,20,23-octamethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,15,19,22-heptaen-2-yl]-1,3-thiazol-2-yl}-3-methylbutyl methylcarbamate
定義日:2022-02-03
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:(1S)-1-{4-[(2S,3S,4E,6E,8S,9S,10R,11E,13Z,15Z,17S,18S,19E,22E)-10,18-dihydroxy-8-methoxy-3,7,9,13,15,17,20,23-octamethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,15,19,22-heptaen-2-yl]-1,3-thiazol-2-yl}-3-methylbutyl methylcarbamate
R1W
R1W
表記:~{N}-[5-[4-chloranyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]propanamide
組成式:C28 H30 Cl N5 O
SMILES:CCC(=O)Nc1cc(ccc1C)c2c([nH]c3nccc(Cl)c23)c4ccc(cc4)N5CCN(C)CC5
InChi:InChI=1S/C28H30ClN5O/c1-4-24(35)31-23-17-20(6-5-18(23)2)25-26-22(29)11-12-30-28(26)32-27(25)19-7-9-21(10-8-19)34-15-13-33(3)14-16-34/h5-12,17H,4,13-16H2,1-3H3,(H,30,32)(H,31,35)
定義日:2020-08-25
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:~{N}-[5-[4-chloranyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]propanamide
6GI
6GI
表記:13-[4-({Imidazo[1,2-a]pyridin-2-yl}methoxy)phenyl]-4,8-dioxa-12,14,16,18-tetraazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,9,15,17-pentaen-15-amine
組成式:C26 H23 N7 O3
SMILES:NC1=Nc2nc3cc4OCCCOc4cc3n2[CH](N1)c5ccc(OCc6cn7ccccc7n6)cc5
InChi:InChI=1S/C26H23N7O3/c27-25-30-24(33-20-13-22-21(34-10-3-11-35-22)12-19(20)29-26(33)31-25)16-5-7-18(8-6-16)36-15-17-14-32-9-2-1-4-23(32)28-17/h1-2,4-9,12-14,24H,3,10-11,15H2,(H3,27,29,30,31)/t24-/m1/s1
定義日:2022-02-10
最終更新日:2022-02-18
公開日:2022-02-23
RY5
RY5
表記:(3~{S})-6-chloranyl-3'-(1,2-oxazol-3-ylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
組成式:C15 H12 Cl N3 O3
SMILES:Clc1ccc2c(CC[C]23NC(=O)N(Cc4ccon4)C3=O)c1
InChi:InChI=1S/C15H12ClN3O3/c16-10-1-2-12-9(7-10)3-5-15(12)13(20)19(14(21)17-15)8-11-4-6-22-18-11/h1-2,4,6-7H,3,5,8H2,(H,17,21)/t15-/m0/s1
定義日:2020-11-02
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:(3~{S})-6-chloranyl-3'-(1,2-oxazol-3-ylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
BKU
BKU
表記:(1S,2S,3S,5R,6S,16E,18E,20S,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-methyl-3-(methyldisulfanyl)butanoyl]amino}propanoate (non-preferred name)
組成式:C38 H54 Cl N3 O10 S2
SMILES:c42cc(OC)c(Cl)c(N(C)C(=O)CC(C1(C)OC1C(C)C3OC(NC(C(OC)C=CC=C(C2)C)(C3)O)=O)OC(=O)C(C)N(C)C(=O)CC(C)(C)SSC)c4
InChi:InChI=1S/C38H54ClN3O10S2/c1-21-13-12-14-28(49-10)38(47)19-27(50-35(46)40-38)22(2)33-37(6,52-33)29(51-34(45)23(3)41(7)31(44)20-36(4,5)54-53-11)18-30(43)42(8)25-16-24(15-21)17-26(48-9)32(25)39/h12-14,16-17,22-23,27-29,33,47H,15,18-20H2,1-11H3,(H,40,46)/b14-12+,21-13+/t22-,23-,27-,28-,29-,33-,37+,38+/m0/s1
定義日:2019-02-20
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:(1S,2S,3S,5R,6S,16E,18E,20S,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-methyl-3-(methyldisulfanyl)butanoyl]amino}propanoate (non-preferred name)
TU8
TU8
表記:(3~{S})-3'-(5-fluoranylpyridin-3-yl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
組成式:C16 H12 F N3 O2
SMILES:Fc1cncc(c1)N2C(=O)N[C]3(CCc4ccccc34)C2=O
InChi:InChI=1S/C16H12FN3O2/c17-11-7-12(9-18-8-11)20-14(21)16(19-15(20)22)6-5-10-3-1-2-4-13(10)16/h1-4,7-9H,5-6H2,(H,19,22)/t16-/m0/s1
定義日:2021-01-13
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:(3~{S})-3'-(5-fluoranylpyridin-3-yl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
U7W
U7W
表記:2-(benzotriazol-1-yl)-1-[(4~{S})-4-methyl-6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl]ethanone
組成式:C16 H16 N4 O S
SMILES:C[CH]1N(CCc2sccc12)C(=O)Cn3nnc4ccccc34
InChi:InChI=1S/C16H16N4OS/c1-11-12-7-9-22-15(12)6-8-19(11)16(21)10-20-14-5-3-2-4-13(14)17-18-20/h2-5,7,9,11H,6,8,10H2,1H3/t11-/m0/s1
定義日:2021-01-28
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:2-(benzotriazol-1-yl)-1-[(4~{S})-4-methyl-6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl]ethanone
U9H
U9H
表記:2-cyclobutyl-7-(5-fluoropyridin-3-yl)-5,7-diazaspiro[3.4]octane-6,8-dione
組成式:C15 H16 F N3 O2
SMILES:Fc1cncc(c1)N2C(=O)N[C]3(C[CH](C3)C4CCC4)C2=O
InChi:InChI=1S/C15H16FN3O2/c16-11-4-12(8-17-7-11)19-13(20)15(18-14(19)21)5-10(6-15)9-2-1-3-9/h4,7-10H,1-3,5-6H2,(H,18,21)/t10-,15-
別名:2-cyclobutyl-7-(5-fluoranylpyridin-3-yl)-5,7-diazaspiro[3.4]octane-6,8-dione
定義日:2021-02-04
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:2-cyclobutyl-7-(5-fluoranylpyridin-3-yl)-5,7-diazaspiro[3.4]octane-6,8-dione
U9T
U9T
表記:~{N}-[2-(2-fluorophenyl)ethyl]-4-methyl-piperidine-1-carboxamide
組成式:C15 H21 F N2 O
SMILES:CC1CCN(CC1)C(=O)NCCc2ccccc2F
InChi:InChI=1S/C15H21FN2O/c1-12-7-10-18(11-8-12)15(19)17-9-6-13-4-2-3-5-14(13)16/h2-5,12H,6-11H2,1H3,(H,17,19)
定義日:2021-02-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:~{N}-[2-(2-fluorophenyl)ethyl]-4-methyl-piperidine-1-carboxamide
U9W
U9W
表記:~{N}-(4-chlorophenyl)-4-methyl-piperidine-1-carboxamide
組成式:C13 H17 Cl N2 O
SMILES:CC1CCN(CC1)C(=O)Nc2ccc(Cl)cc2
InChi:InChI=1S/C13H17ClN2O/c1-10-6-8-16(9-7-10)13(17)15-12-4-2-11(14)3-5-12/h2-5,10H,6-9H2,1H3,(H,15,17)
定義日:2021-02-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:~{N}-(4-chlorophenyl)-4-methyl-piperidine-1-carboxamide
U9Z
U9Z
表記:4-methyl-~{N}-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
組成式:C14 H17 F3 N2 O
SMILES:CC1CCN(CC1)C(=O)Nc2ccc(cc2)C(F)(F)F
InChi:InChI=1S/C14H17F3N2O/c1-10-6-8-19(9-7-10)13(20)18-12-4-2-11(3-5-12)14(15,16)17/h2-5,10H,6-9H2,1H3,(H,18,20)
定義日:2021-02-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:4-methyl-~{N}-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
UA8
UA8
表記:~{N}-cycloheptyl-4-methyl-piperidine-1-carboxamide
組成式:C14 H26 N2 O
SMILES:CC1CCN(CC1)C(=O)NC2CCCCCC2
InChi:InChI=1S/C14H26N2O/c1-12-8-10-16(11-9-12)14(17)15-13-6-4-2-3-5-7-13/h12-13H,2-11H2,1H3,(H,15,17)
定義日:2021-02-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:~{N}-cycloheptyl-4-methyl-piperidine-1-carboxamide
UAB
UAB
表記:4-methyl-~{N}-(4-phenylbutyl)piperidine-1-carboxamide
組成式:C17 H26 N2 O
SMILES:CC1CCN(CC1)C(=O)NCCCCc2ccccc2
InChi:InChI=1S/C17H26N2O/c1-15-10-13-19(14-11-15)17(20)18-12-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,15H,5-6,9-14H2,1H3,(H,18,20)
定義日:2021-02-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:4-methyl-~{N}-(4-phenylbutyl)piperidine-1-carboxamide
UAE
UAE
表記:~{N}-cyclohexyl-4-methyl-piperidine-1-carboxamide
組成式:C13 H24 N2 O
SMILES:CC1CCN(CC1)C(=O)NC2CCCCC2
InChi:InChI=1S/C13H24N2O/c1-11-7-9-15(10-8-11)13(16)14-12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H,14,16)
定義日:2021-02-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:~{N}-cyclohexyl-4-methyl-piperidine-1-carboxamide
UAK
UAK
表記:4-methyl-~{N}-[(1~{R})-1-phenylethyl]piperidine-1-carboxamide
組成式:C15 H22 N2 O
SMILES:CC1CCN(CC1)C(=O)N[CH](C)c2ccccc2
InChi:InChI=1S/C15H22N2O/c1-12-8-10-17(11-9-12)15(18)16-13(2)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,16,18)/t13-/m1/s1
定義日:2021-02-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:4-methyl-~{N}-[(1~{R})-1-phenylethyl]piperidine-1-carboxamide
UAQ
UAQ
表記:~{N}-(furan-2-ylmethyl)-4-methyl-piperidine-1-carboxamide
組成式:C12 H18 N2 O2
SMILES:CC1CCN(CC1)C(=O)NCc2occc2
InChi:InChI=1S/C12H18N2O2/c1-10-4-6-14(7-5-10)12(15)13-9-11-3-2-8-16-11/h2-3,8,10H,4-7,9H2,1H3,(H,13,15)
定義日:2021-02-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:~{N}-(furan-2-ylmethyl)-4-methyl-piperidine-1-carboxamide
UAT
UAT
表記:4-methyl-~{N}-(phenylmethyl)piperidine-1-carboxamide
組成式:C14 H20 N2 O
SMILES:CC1CCN(CC1)C(=O)NCc2ccccc2
InChi:InChI=1S/C14H20N2O/c1-12-7-9-16(10-8-12)14(17)15-11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,15,17)
定義日:2021-02-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:4-methyl-~{N}-(phenylmethyl)piperidine-1-carboxamide
UAW
UAW
表記:~{N}-(4-hydroxyphenyl)-4-methyl-piperidine-1-carboxamide
組成式:C13 H18 N2 O2
SMILES:CC1CCN(CC1)C(=O)Nc2ccc(O)cc2
InChi:InChI=1S/C13H18N2O2/c1-10-6-8-15(9-7-10)13(17)14-11-2-4-12(16)5-3-11/h2-5,10,16H,6-9H2,1H3,(H,14,17)
定義日:2021-02-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:~{N}-(4-hydroxyphenyl)-4-methyl-piperidine-1-carboxamide
UAZ
UAZ
表記:~{N}-(4-methoxyphenyl)-4-methyl-piperidine-1-carboxamide
組成式:C14 H20 N2 O2
SMILES:COc1ccc(NC(=O)N2CCC(C)CC2)cc1
InChi:InChI=1S/C14H20N2O2/c1-11-7-9-16(10-8-11)14(17)15-12-3-5-13(18-2)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,15,17)
定義日:2021-02-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:~{N}-(4-methoxyphenyl)-4-methyl-piperidine-1-carboxamide
UB5
UB5
表記:4-methyl-~{N}-pentyl-piperidine-1-carboxamide
組成式:C12 H24 N2 O
SMILES:CCCCCNC(=O)N1CCC(C)CC1
InChi:InChI=1S/C12H24N2O/c1-3-4-5-8-13-12(15)14-9-6-11(2)7-10-14/h11H,3-10H2,1-2H3,(H,13,15)
定義日:2021-02-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:4-methyl-~{N}-pentyl-piperidine-1-carboxamide
UBN
UBN
表記:4-methyl-~{N}-[(~{E})-oct-5-enyl]piperidine-1-carboxamide
組成式:C15 H30 N2 O
SMILES:CCCCCCCCNC(=O)N1CCC(C)CC1
InChi:InChI=1S/C15H30N2O/c1-3-4-5-6-7-8-11-16-15(18)17-12-9-14(2)10-13-17/h14H,3-13H2,1-2H3,(H,16,18)
定義日:2021-02-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:4-methyl-~{N}-octyl-piperidine-1-carboxamide
UBQ
UBQ
表記:4-methyl-~{N}-undecyl-pyridine-1-carboxamide
組成式:C18 H36 N2 O
SMILES:CCCCCCCCCCCNC(=O)[N+]1CCC(C)CC1
InChi:InChI=1S/C18H36N2O/c1-3-4-5-6-7-8-9-10-11-14-19-18(21)20-15-12-17(2)13-16-20/h17H,3-16H2,1-2H3,(H,19,21)/p+1
定義日:2021-02-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:4-methyl-~{N}-undecyl-3,4,5,6-tetrahydro-2~{H}-pyridine-1-carboxamide
UD8
UD8
表記:N-((1-(6-((3aR,7R,7aS)-7-hydroxy-2,2-dimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4H)-yl)hexyl)-1H-1,2,3-triazol-4-yl)methyl)-4-sulfamoylbenzamide
組成式:C24 H36 N6 O6 S
SMILES:CC1(C)O[CH]2CN(CCCCCCn3cc(CNC(=O)c4ccc(cc4)[S](N)(=O)=O)nn3)C[CH](O)[CH]2O1
InChi:InChI=1S/C24H36N6O6S/c1-24(2)35-21-16-29(15-20(31)22(21)36-24)11-5-3-4-6-12-30-14-18(27-28-30)13-26-23(32)17-7-9-19(10-8-17)37(25,33)34/h7-10,14,20-22,31H,3-6,11-13,15-16H2,1-2H3,(H,26,32)(H2,25,33,34)/t20-,21+,22+/m1/s1
別名:~{N}-[[1-[6-[(3~{a}~{S},7~{R},7~{a}~{S})-2,2-dimethyl-7-oxidanyl-4,6,7,7~{a}-tetrahydro-3~{a}~{H}-[1,3]dioxolo[4,5-c]pyridin-5-yl]hexyl]-1,2,3-triazol-4-yl]methyl]-4-sulfamoyl-benzamide
定義日:2021-02-10
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:~{N}-[[1-[6-[(3~{a}~{S},7~{R},7~{a}~{S})-2,2-dimethyl-7-oxidanyl-4,6,7,7~{a}-tetrahydro-3~{a}~{H}-[1,3]dioxolo[4,5-c]pyridin-5-yl]hexyl]-1,2,3-triazol-4-yl]methyl]-4-sulfamoyl-benzamide
UDE
UDE
表記:3-(3-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)-1H-1,2,3-triazol-4-yl)methyl)ureido)benzenesulfonamide
組成式:C20 H24 N8 O7 S
SMILES:CC1=CN([CH]2C[CH]([CH](CO)O2)n3cc(CNC(=O)Nc4cccc(c4)[S](N)(=O)=O)nn3)C(=O)NC1=O
InChi:InChI=1S/C20H24N8O7S/c1-11-8-27(20(32)24-18(11)30)17-6-15(16(10-29)35-17)28-9-13(25-26-28)7-22-19(31)23-12-3-2-4-14(5-12)36(21,33)34/h2-5,8-9,15-17,29H,6-7,10H2,1H3,(H2,21,33,34)(H2,22,23,31)(H,24,30,32)/t15-,16+,17+/m0/s1
別名:1-[[1-[(2~{S},3~{S},5~{R})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methyl]-3-(3-sulfamoylphenyl)urea
定義日:2021-02-10
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:1-[[1-[(2~{S},3~{S},5~{R})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methyl]-3-(3-sulfamoylphenyl)urea
UE8
UE8
表記:2-sulfanylidene-3-[(2R)-tetrahydro-2-furanylmethyl]-1,2,3,7-tetrahydro-6H-purin-6-one
組成式:C10 H12 N4 O2 S
SMILES:O=C1NC(=S)N(C[CH]2CCCO2)c3[nH]cnc13
InChi:InChI=1S/C10H12N4O2S/c15-9-7-8(12-5-11-7)14(10(17)13-9)4-6-2-1-3-16-6/h5-6H,1-4H2,(H,11,12)(H,13,15,17)/t6-/m1/s1
別名:3-[[(2~{R})-oxolan-2-yl]methyl]-2-sulfanylidene-9~{H}-purin-6-one
定義日:2021-02-11
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:3-[[(2~{R})-oxolan-2-yl]methyl]-2-sulfanylidene-9~{H}-purin-6-one

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件を2024-09-04に公開中

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