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V9S
V9S
表記:6-[(8E)-8-{2-[4-(benzylcarbamoyl)-1,3-thiazol-2-yl]hydrazinylidene}-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(2-phenylethoxy)pyridine-2-carboxylic acid
組成式:C35 H31 N5 O4 S
SMILES:s5c(N/N=C4/c3c(ccc(c1ccc(c(C(O)=O)n1)OCCc2ccccc2)c3)CCC4)nc(c5)C(NCc6ccccc6)=O
InChi:InChI=1S/C35H31N5O4S/c41-33(36-21-24-10-5-2-6-11-24)30-22-45-35(38-30)40-39-29-13-7-12-25-14-15-26(20-27(25)29)28-16-17-31(32(37-28)34(42)43)44-19-18-23-8-3-1-4-9-23/h1-6,8-11,14-17,20,22H,7,12-13,18-19,21H2,(H,36,41)(H,38,40)(H,42,43)/b39-29+
定義日:2020-07-21
最終更新日:2021-02-19
公開日:2021-02-24
識別子（ID）:6-[(8E)-8-{2-[4-(benzylcarbamoyl)-1,3-thiazol-2-yl]hydrazinylidene}-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(2-phenylethoxy)pyridine-2-carboxylic acid
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
VRJ
VRJ
表記:N-(tert-butylsulfonyl)-4-fluoro-2-{(3S,4R)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl}benzamide
組成式:C26 H27 F N2 O5 S
SMILES:O=S(=O)(C(C)(C)C)NC(=O)c4c(c3ccc1c(OCC(C1O)Cc2ccccn2)c3)cc(cc4)F
InChi:InChI=1S/C26H27FN2O5S/c1-26(2,3)35(32,33)29-25(31)20-10-8-18(27)14-22(20)16-7-9-21-23(13-16)34-15-17(24(21)30)12-19-6-4-5-11-28-19/h4-11,13-14,17,24,30H,12,15H2,1-3H3,(H,29,31)/t17-,24+/m0/s1
定義日:2020-09-09
最終更新日:2021-02-12
公開日:2021-02-17
識別子（ID）:N-(tert-butylsulfonyl)-4-fluoro-2-{(3S,4R)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl}benzamide
XB1
XB1
表記:N-{3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propyl}-N'-[2-(morpholin-4-yl)ethyl]thiourea
組成式:C17 H27 N7 O3 S2
SMILES:C(CCSc2nc1C(=O)N(C(N(c1n2)C)=O)C)NC(NCCN3CCOCC3)=S
InChi:InChI=1S/C17H27N7O3S2/c1-22-13-12(14(25)23(2)17(22)26)20-16(21-13)29-11-3-4-18-15(28)19-5-6-24-7-9-27-10-8-24/h3-11H2,1-2H3,(H,20,21)(H2,18,19,28)
定義日:2020-12-08
最終更新日:2021-02-12
公開日:2021-02-17
識別子（ID）:N-{3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propyl}-N'-[2-(morpholin-4-yl)ethyl]thiourea
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
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
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
GKC
GKC
表記:(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{R})-6-(cyclohexylmethoxy)-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
組成式:C19 H34 O11
SMILES:OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](OCC3CCCCC3)O[CH]2CO)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C19H34O11/c20-6-10-12(22)13(23)15(25)19(28-10)30-17-11(7-21)29-18(16(26)14(17)24)27-8-9-4-2-1-3-5-9/h9-26H,1-8H2/t10-,11-,12-,13+,14-,15-,16-,17-,18-,19-/m1/s1
定義日:2020-09-03
最終更新日:2021-02-12
公開日:2021-02-17
識別子（ID）:(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{R})-6-(cyclohexylmethoxy)-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
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
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
Y2J
Y2J
表記:4-(5-chlorofuran-2-carbonyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
組成式:C13 H18 Cl N3 O4
SMILES:N2(CCN(C(c1ccc(Cl)o1)=O)CC2)C(NCCOC)=O
InChi:InChI=1S/C13H18ClN3O4/c1-20-9-4-15-13(19)17-7-5-16(6-8-17)12(18)10-2-3-11(14)21-10/h2-3H,4-9H2,1H3,(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）:4-(5-chlorofuran-2-carbonyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
Y2M
Y2M
表記:N-(cyclopropylmethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide
組成式:C15 H21 N3 O3
SMILES:N3(C(=O)NCC1CC1)CCN(C(c2ccc(C)o2)=O)CC3
InChi:InChI=1S/C15H21N3O3/c1-11-2-5-13(21-11)14(19)17-6-8-18(9-7-17)15(20)16-10-12-3-4-12/h2,5,12H,3-4,6-10H2,1H3,(H,16,20)
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-(cyclopropylmethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide
Y2V
Y2V
表記:4-(5-methylfuran-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
組成式:C13 H16 F3 N3 O3
SMILES:N2(C(NCC(F)(F)F)=O)CCN(C(c1ccc(C)o1)=O)CC2
InChi:InChI=1S/C13H16F3N3O3/c1-9-2-3-10(22-9)11(20)18-4-6-19(7-5-18)12(21)17-8-13(14,15)16/h2-3H,4-8H2,1H3,(H,17,21)
定義日:2021-02-01
最終更新日:2021-02-12
公開日:2021-02-17
識別子（ID）:4-(5-methylfuran-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
Y3V
Y3V
表記:(2S)-N-(cyclopropylmethyl)-2-methyl-4-(1-methyl-1H-pyrrole-2-carbonyl)piperazine-1-carboxamide
組成式:C16 H24 N4 O2
SMILES:N3(C(=O)c1cccn1C)CCN(C(=O)NCC2CC2)C(C)C3
InChi:InChI=1S/C16H24N4O2/c1-12-11-19(15(21)14-4-3-7-18(14)2)8-9-20(12)16(22)17-10-13-5-6-13/h3-4,7,12-13H,5-6,8-11H2,1-2H3,(H,17,22)/t12-/m0/s1
定義日:2021-02-03
最終更新日:2021-02-12
公開日:2021-02-17
識別子（ID）:(2S)-N-(cyclopropylmethyl)-2-methyl-4-(1-methyl-1H-pyrrole-2-carbonyl)piperazine-1-carboxamide

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