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RME
RME
表記:N6-(4-methylpyridin-2-yl)-N2-(2-morpholinoethyl)-3-nitropyridine-2,6-diamine
組成式:C17 H22 N6 O3
SMILES:Cc1ccnc(Nc2ccc(c(NCCN3CCOCC3)n2)[N+]([O-])=O)c1
InChi:InChI=1S/C17H22N6O3/c1-13-4-5-18-16(12-13)20-15-3-2-14(23(24)25)17(21-15)19-6-7-22-8-10-26-11-9-22/h2-5,12H,6-11H2,1H3,(H2,18,19,20,21)
別名:~{N}6-(4-methylpyridin-2-yl)-~{N}2-(2-morpholin-4-ylethyl)-3-nitro-pyridine-2,6-diamine
定義日:2011-07-20
最終更新日:2021-02-16
識別子（ID）:~{N}6-(4-methylpyridin-2-yl)-~{N}2-(2-morpholin-4-ylethyl)-3-nitro-pyridine-2,6-diamine
F05
F05
表記:1H-isoindol-3-amine
組成式:C8 H8 N2
SMILES:c1cccc2c1cnc2N
InChi:InChI=1S/C8H8N2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2,(H2,9,10)
定義日:2010-11-15
最終更新日:2021-02-16
識別子（ID）:2H-isoindol-1-amine
RV2
RV2
表記:5-Chloro-2-[[2-[3-(furan-3-yl)anilino]-2-oxoacetyl]amino]benzoic acid
組成式:C19 H13 Cl N2 O5
SMILES:OC(=O)c1cc(Cl)ccc1NC(=O)C(=O)Nc2cccc(c2)c3cocc3
InChi:InChI=1S/C19H13ClN2O5/c20-13-4-5-16(15(9-13)19(25)26)22-18(24)17(23)21-14-3-1-2-11(8-14)12-6-7-27-10-12/h1-10H,(H,21,23)(H,22,24)(H,25,26)
別名:5-chloranyl-2-[[2-[[3-(furan-3-yl)phenyl]amino]-2-oxidanylidene-ethanoyl]amino]benzoic acid
定義日:2020-10-21
最終更新日:2021-02-12
公開日:2021-02-17
識別子（ID）:5-chloranyl-2-[[2-[[3-(furan-3-yl)phenyl]amino]-2-oxidanylidene-ethanoyl]amino]benzoic acid
UCJ
UCJ
表記:propan-2-yl hydrogen (S)-methylphosphonate
組成式:C4 H11 O3 P
SMILES:O=P(OC(C)C)(O)C
InChi:InChI=1S/C4H11O3P/c1-4(2)7-8(3,5)6/h4H,1-3H3,(H,5,6)
定義日:2020-05-07
最終更新日:2021-02-12
公開日:2021-02-17
識別子（ID）:propan-2-yl hydrogen (S)-methylphosphonate
XYJ
XYJ
表記:3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]-N-{[2-(morpholin-4-yl)ethyl]sulfonyl}propanamide
組成式:C16 H24 N6 O6 S2
SMILES:C(NS(CCN1CCOCC1)(=O)=O)(CCSc3nc2c(C(N(C(N2C)=O)C)=O)n3)=O
InChi:InChI=1S/C16H24N6O6S2/c1-20-13-12(14(24)21(2)16(20)25)17-15(18-13)29-9-3-11(23)19-30(26,27)10-6-22-4-7-28-8-5-22/h3-10H2,1-2H3,(H,17,18)(H,19,23)
定義日:2021-01-20
最終更新日:2021-02-12
公開日:2021-02-17
識別子（ID）:3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]-N-{[2-(morpholin-4-yl)ethyl]sulfonyl}propanamide
XZS
XZS
表記:N-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-2-methylpropane-2-sulfonamide
組成式:C27 H33 F3 N6 O2 S
SMILES:c2c(cc(c(C1CCN(CC1)C)c2F)F)Nc3nc(c(C)cn3)Nc4ccc(F)c(NS(C(C)(C)C)(=O)=O)c4
InChi:InChI=1S/C27H33F3N6O2S/c1-16-15-31-26(33-19-12-21(29)24(22(30)13-19)17-8-10-36(5)11-9-17)34-25(16)32-18-6-7-20(28)23(14-18)35-39(37,38)27(2,3)4/h6-7,12-15,17,35H,8-11H2,1-5H3,(H2,31,32,33,34)
定義日:2021-01-22
最終更新日:2021-02-12
公開日:2021-02-17
識別子（ID）:N-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-2-methylpropane-2-sulfonamide
XZV
XZV
表記:4-(5-chlorofuran-2-carbonyl)-N-(cyclopropylmethyl)piperazine-1-carboxamide
組成式:C14 H18 Cl N3 O3
SMILES:N2(CCN(C(c1ccc(Cl)o1)=O)CC2)C(NCC3CC3)=O
InChi:InChI=1S/C14H18ClN3O3/c15-12-4-3-11(21-12)13(19)17-5-7-18(8-6-17)14(20)16-9-10-1-2-10/h3-4,10H,1-2,5-9H2,(H,16,20)
定義日:2021-01-25
最終更新日:2021-02-12
公開日:2021-02-17
識別子（ID）:4-(5-chlorofuran-2-carbonyl)-N-(cyclopropylmethyl)piperazine-1-carboxamide
XZY
XZY
表記:4-(5-chlorofuran-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
組成式:C12 H13 Cl F3 N3 O3
SMILES:N(CC(F)(F)F)C(N2CCN(C(=O)c1ccc(Cl)o1)CC2)=O
InChi:InChI=1S/C12H13ClF3N3O3/c13-9-2-1-8(22-9)10(20)18-3-5-19(6-4-18)11(21)17-7-12(14,15)16/h1-2H,3-7H2,(H,17,21)
定義日:2021-01-25
最終更新日:2021-02-12
公開日:2021-02-17
識別子（ID）:4-(5-chlorofuran-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
Y0A
Y0A
表記:N-butyl-4-(furan-2-carbonyl)piperazine-1-carboxamide
組成式:C14 H21 N3 O3
SMILES:N2(CCN(C(=O)c1ccco1)CC2)C(NCCCC)=O
InChi:InChI=1S/C14H21N3O3/c1-2-3-6-15-14(19)17-9-7-16(8-10-17)13(18)12-5-4-11-20-12/h4-5,11H,2-3,6-10H2,1H3,(H,15,19)
定義日:2021-01-25
最終更新日:2021-02-12
公開日:2021-02-17
識別子（ID）:N-butyl-4-(furan-2-carbonyl)piperazine-1-carboxamide
Y0D
Y0D
表記:N-(cyclopropylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
組成式:C14 H19 N3 O2 S
SMILES:N(CC1CC1)C(N3CCN(C(=O)c2cccs2)CC3)=O
InChi:InChI=1S/C14H19N3O2S/c18-13(12-2-1-9-20-12)16-5-7-17(8-6-16)14(19)15-10-11-3-4-11/h1-2,9,11H,3-8,10H2,(H,15,19)
定義日:2021-01-25
最終更新日:2021-02-12
公開日:2021-02-17
識別子（ID）:N-(cyclopropylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
Y0G
Y0G
表記:N-(2-fluoro-4-methoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
組成式:C17 H18 F N3 O4
SMILES:N2(C(=O)Nc1ccc(OC)cc1F)CCN(CC2)C(c3occc3)=O
InChi:InChI=1S/C17H18FN3O4/c1-24-12-4-5-14(13(18)11-12)19-17(23)21-8-6-20(7-9-21)16(22)15-3-2-10-25-15/h2-5,10-11H,6-9H2,1H3,(H,19,23)
定義日:2021-01-25
最終更新日:2021-02-12
公開日:2021-02-17
識別子（ID）:N-(2-fluoro-4-methoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
Y0J
Y0J
表記:N-(1,3-benzoxazol-2-yl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
組成式:C17 H16 N4 O4
SMILES:n2c1c(cccc1)oc2NC(N4CCN(C(=O)c3ccco3)CC4)=O
InChi:InChI=1S/C17H16N4O4/c22-15(14-6-3-11-24-14)20-7-9-21(10-8-20)17(23)19-16-18-12-4-1-2-5-13(12)25-16/h1-6,11H,7-10H2,(H,18,19,23)
定義日:2021-01-25
最終更新日:2021-02-12
公開日:2021-02-17
識別子（ID）:N-(1,3-benzoxazol-2-yl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
RZB
RZB
表記:(3~{R})-3-azanyl-4-[5-[4-(4-chloranylphenoxy)phenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid
組成式:C17 H16 Cl N5 O3
SMILES:N[CH](Cn1nnc(n1)c2ccc(Oc3ccc(Cl)cc3)cc2)CC(O)=O
InChi:InChI=1S/C17H16ClN5O3/c18-12-3-7-15(8-4-12)26-14-5-1-11(2-6-14)17-20-22-23(21-17)10-13(19)9-16(24)25/h1-8,13H,9-10,19H2,(H,24,25)/t13-/m1/s1
定義日:2020-11-04
最終更新日:2021-02-12
公開日:2021-02-17
識別子（ID）:(3~{R})-3-azanyl-4-[5-[4-(4-chloranylphenoxy)phenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid
Y0Y
Y0Y
表記:4-(furan-2-carbonyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
組成式:C17 H19 N3 O4
SMILES:N2(CCN(C(=O)c1ccco1)CC2)C(Nc3ccc(OC)cc3)=O
InChi:InChI=1S/C17H19N3O4/c1-23-14-6-4-13(5-7-14)18-17(22)20-10-8-19(9-11-20)16(21)15-3-2-12-24-15/h2-7,12H,8-11H2,1H3,(H,18,22)
定義日:2021-01-25
最終更新日:2021-02-12
公開日:2021-02-17
識別子（ID）:4-(furan-2-carbonyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
RZE
RZE
表記:(3~{S})-3-azanyl-4-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid
組成式:C16 H14 Cl F N6 O3
SMILES:N[CH](Cn1nnc(n1)c2ccc(Oc3ncc(Cl)cc3F)cc2)CC(O)=O
InChi:InChI=1S/C16H14ClFN6O3/c17-10-5-13(18)16(20-7-10)27-12-3-1-9(2-4-12)15-21-23-24(22-15)8-11(19)6-14(25)26/h1-5,7,11H,6,8,19H2,(H,25,26)/t11-/m0/s1
定義日:2020-11-04
最終更新日:2021-02-12
公開日:2021-02-17
識別子（ID）:(3~{S})-3-azanyl-4-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid
RZK
RZK
表記:2-[5-(4-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanamine
組成式:C10 H13 N5 O
SMILES:COc1ccc(cc1)c2nnn(CCN)n2
InChi:InChI=1S/C10H13N5O/c1-16-9-4-2-8(3-5-9)10-12-14-15(13-10)7-6-11/h2-5H,6-7,11H2,1H3
定義日:2020-11-04
最終更新日:2021-02-12
公開日:2021-02-17
識別子（ID）:2-[5-(4-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanamine
RZN
RZN
表記:(4-phenoxyphenyl)methanol
組成式:C13 H12 O2
SMILES:OCc1ccc(Oc2ccccc2)cc1
InChi:InChI=1S/C13H12O2/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9,14H,10H2
定義日:2020-11-04
最終更新日:2021-02-12
公開日:2021-02-17
識別子（ID）:(4-phenoxyphenyl)methanol
Y1A
Y1A
表記:4-(furan-2-carbonyl)-N-(propan-2-yl)piperazine-1-carboxamide
組成式:C13 H19 N3 O3
SMILES:N2(CCN(C(=O)c1ccco1)CC2)C(NC(C)C)=O
InChi:InChI=1S/C13H19N3O3/c1-10(2)14-13(18)16-7-5-15(6-8-16)12(17)11-4-3-9-19-11/h3-4,9-10H,5-8H2,1-2H3,(H,14,18)
定義日:2021-01-25
最終更新日:2021-02-12
公開日:2021-02-17
識別子（ID）:4-(furan-2-carbonyl)-N-(propan-2-yl)piperazine-1-carboxamide
Y1D
Y1D
表記:N-(2,4-difluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
組成式:C16 H15 F2 N3 O3
SMILES:N1(CCN(CC1)C(c2ccco2)=O)C(Nc3c(cc(cc3)F)F)=O
InChi:InChI=1S/C16H15F2N3O3/c17-11-3-4-13(12(18)10-11)19-16(23)21-7-5-20(6-8-21)15(22)14-2-1-9-24-14/h1-4,9-10H,5-8H2,(H,19,23)
定義日:2021-01-25
最終更新日:2021-02-12
公開日:2021-02-17
識別子（ID）:N-(2,4-difluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
Y1J
Y1J
表記:N-(cyclopropylmethyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
組成式:C14 H19 N3 O3
SMILES:N2(CCN(C(=O)c1ccco1)CC2)C(NCC3CC3)=O
InChi:InChI=1S/C14H19N3O3/c18-13(12-2-1-9-20-12)16-5-7-17(8-6-16)14(19)15-10-11-3-4-11/h1-2,9,11H,3-8,10H2,(H,15,19)
定義日:2021-01-26
最終更新日:2021-02-12
公開日:2021-02-17
識別子（ID）:N-(cyclopropylmethyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
Y1M
Y1M
表記:N-[(3,4-dihydro-2H-1lambda~4~-thiophen-5-yl)methyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
組成式:C15 H21 N3 O3 S
SMILES:N2(CCN(C(=O)c1ccco1)CC2)C(NCC=3CCCS=3)=O
InChi:InChI=1S/C15H21N3O3S/c19-14(13-4-1-9-21-13)17-5-7-18(8-6-17)15(20)16-11-12-3-2-10-22-12/h1,4,9,22H,2-3,5-8,10-11H2,(H,16,20)
定義日:2021-01-26
最終更新日:2021-02-12
公開日:2021-02-17
識別子（ID）:N-[(3,4-dihydro-2H-1lambda~4~-thiophen-5-yl)methyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
NWS
NWS
表記:Moco-AMP
組成式:C20 H26 Mo N10 O15 P2 S2
SMILES:NC1=NC2=C(N[CH]3[CH](N2)O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)C7=C3S[Mo](O)(O)(=O)S7)C(=O)N1
InChi:InChI=1S/C20H26N10O12P2S2.Mo.2H2O.O/c21-14-8-16(24-3-23-14)30(4-25-8)19-11(32)10(31)5(41-19)1-38-43(34,35)42-44(36,37)39-2-6-12(45)13(46)7-18(40-6)27-15-9(26-7)17(33)29-20(22)28-15
定義日:2018-12-03
最終更新日:2021-02-12
公開日:2021-02-17
識別子（ID）:[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(1~{R},10~{R},16~{R})-5-azanyl-13,13-bis(oxidanyl)-7,13-bis(oxidanylidene)-17-oxa-12,14-dithia-2,4,6,9-tetraza-13$l^{6}-molybdatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-3(8),4,11(15)-trien-16-yl]methyl hydrogen phosphate
Y1P
Y1P
表記:4-(furan-2-carbonyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
組成式:C13 H19 N3 O4
SMILES:N2(CCN(C(=O)c1ccco1)CC2)C(NCCOC)=O
InChi:InChI=1S/C13H19N3O4/c1-19-10-4-14-13(18)16-7-5-15(6-8-16)12(17)11-3-2-9-20-11/h2-3,9H,4-8,10H2,1H3,(H,14,18)
定義日:2021-01-26
最終更新日:2021-02-12
公開日:2021-02-17
識別子（ID）:4-(furan-2-carbonyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
Y1S
Y1S
表記:4-(furan-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
組成式:C12 H14 F3 N3 O3
SMILES:N2(CCN(C(=O)c1ccco1)CC2)C(NCC(F)(F)F)=O
InChi:InChI=1S/C12H14F3N3O3/c13-12(14,15)8-16-11(20)18-5-3-17(4-6-18)10(19)9-2-1-7-21-9/h1-2,7H,3-6,8H2,(H,16,20)
定義日:2021-01-26
最終更新日:2021-02-12
公開日:2021-02-17
識別子（ID）:4-(furan-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
Y2G
Y2G
表記:N-(2-methoxyethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide
組成式:C14 H21 N3 O4
SMILES:N2(CCN(C(=O)c1ccc(o1)C)CC2)C(NCCOC)=O
InChi:InChI=1S/C14H21N3O4/c1-11-3-4-12(21-11)13(18)16-6-8-17(9-7-16)14(19)15-5-10-20-2/h3-4H,5-10H2,1-2H3,(H,15,19)
定義日:2021-01-28
最終更新日:2021-02-12
公開日:2021-02-17
識別子（ID）:N-(2-methoxyethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide

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