 | | NQL | | 表記: | 2-chloranyl-N-[[1-(4-phenylazanylpiperidin-4-yl)carbonylpiperidin-4-yl]methyl]ethanamide | | 組成式: | C20 H29 Cl N4 O2 | | SMILES: | ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCNCC2)Nc3ccccc3 | | InChi: | InChI=1S/C20H29ClN4O2/c21-14-18(26)23-15-16-6-12-25(13-7-16)19(27)20(8-10-22-11-9-20)24-17-4-2-1-3-5-17/h1-5,16,22,24H,6-15H2,(H,23,26) | | 定義日: | 2022-08-17 | | 最終更新日: | 2023-09-23 | | 公開日: | 2023-09-20 | | 識別子（ID）: | 2-chloranyl-~{N}-[[1-(4-phenylazanylpiperidin-4-yl)carbonylpiperidin-4-yl]methyl]ethanamide |
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 | | NQU | | 表記: | 2-chloranyl-N-[[1-[1-(4-chloranylphenoxy)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide | | 組成式: | C21 H28 Cl2 N2 O3 | | SMILES: | ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCCCC2)Oc3ccc(Cl)cc3 | | InChi: | InChI=1S/C21H28Cl2N2O3/c22-14-19(26)24-15-16-8-12-25(13-9-16)20(27)21(10-2-1-3-11-21)28-18-6-4-17(23)5-7-18/h4-7,16H,1-3,8-15H2,(H,24,26) | | 定義日: | 2022-08-17 | | 最終更新日: | 2023-09-23 | | 公開日: | 2023-09-20 | | 識別子（ID）: | 2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide |
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 | | NR6 | | 表記: | 2-chloranyl-N-[[1-[1-(4-chloranylphenoxy)cyclopropyl]carbonylpiperidin-4-yl]methyl]ethanamide | | 組成式: | C18 H22 Cl2 N2 O3 | | SMILES: | ClCC(=O)NCC1CCN(CC1)C(=O)C2(CC2)Oc3ccc(Cl)cc3 | | InChi: | InChI=1S/C18H22Cl2N2O3/c19-11-16(23)21-12-13-5-9-22(10-6-13)17(24)18(7-8-18)25-15-3-1-14(20)2-4-15/h1-4,13H,5-12H2,(H,21,23) | | 定義日: | 2022-08-17 | | 最終更新日: | 2023-09-23 | | 公開日: | 2023-09-20 | | 識別子（ID）: | 2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)cyclopropyl]carbonylpiperidin-4-yl]methyl]ethanamide |
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 | | NT0 | | 表記: | N-(3-Benzyl-5-phenylpyrazin-2-yl)-2-(furan-2-yl)acetamide | | 組成式: | C23 H19 N3 O2 | | SMILES: | O=C(Cc1occc1)Nc2ncc(nc2Cc3ccccc3)c4ccccc4 | | InChi: | InChI=1S/C23H19N3O2/c27-22(15-19-12-7-13-28-19)26-23-20(14-17-8-3-1-4-9-17)25-21(16-24-23)18-10-5-2-6-11-18/h1-13,16H,14-15H2,(H,24,26,27) | | 別名: | 2-(furan-2-yl)-~{N}-[5-phenyl-3-(phenylmethyl)pyrazin-2-yl]ethanamide | | 定義日: | 2022-08-21 | | 最終更新日: | 2023-09-23 | | 公開日: | 2023-08-23 | | 識別子（ID）: | 2-(furan-2-yl)-~{N}-[5-phenyl-3-(phenylmethyl)pyrazin-2-yl]ethanamide |
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 | | NT9 | | 表記: | ~{N}-methyl-1-(4-thiophen-2-ylphenyl)methanamine | | 組成式: | C12 H13 N S | | SMILES: | CNCc1ccc(cc1)c2sccc2 | | InChi: | InChI=1S/C12H13NS/c1-13-9-10-4-6-11(7-5-10)12-3-2-8-14-12/h2-8,13H,9H2,1H3 | | 定義日: | 2022-08-22 | | 最終更新日: | 2023-09-23 | | 公開日: | 2022-11-23 | | 識別子（ID）: | ~{N}-methyl-1-(4-thiophen-2-ylphenyl)methanamine |
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 | | NUI | | 表記: | 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[[20-[2-[5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethanoylamino]-2$l^{3},4,12,14$l^{3},16,24,25$l^{3},27$l^{3}-octathia-1$l^{4},3$l^{4},13$l^{4},15$l^{4}-tetraferranonacyclo[11.11.1.1^{1,13}.1^{6,10}.1^{18,22}.0^{2,15}.0^{3,14}.0^{3,25}.0^{15,27}]octacosa-6(28),7,9,18,20,22(26)-hexaen-8-yl]amino]-2-oxidanylidene-ethyl]pentanamide | | 組成式: | C40 H52 Fe4 N8 O6 S10 | | SMILES: | O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NCC(=O)Nc3cc4CS[Fe]56[S-]7[Fe]89SCc%10cc(CS[Fe+]%11([S-]58)[S-]6[Fe+]7(SCc(c4)c3)[S-]9%11)cc(NC(=O)CNC(=O)CCCC[CH]%12SC[CH]%13NC(=O)N[CH]%12%13)c%10 | | InChi: | InChI=1S/2C20H28N4O3S3.4Fe.4S/c2*25-17(4-2-1-3-16-19-15(11-30-16)23-20(27)24-19)21-8-18(26)22-14-6-12(9-28)5-13(7-14)10-29 | | 定義日: | 2022-08-22 | | 最終更新日: | 2023-09-23 | | 公開日: | 2023-08-23 | | 識別子（ID）: | 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[[20-[2-[5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethanoylamino]-2$l^{3},4,12,14$l^{3},16,24,25$l^{3},27$l^{3}-octathia-1$l^{4},3$l^{4},13$l^{4},15$l^{4}-tetraferranonacyclo[11.11.1.1^{1,13}.1^{6,10}.1^{18,22}.0^{2,15}.0^{3,14}.0^{3,25}.0^{15,27}]octacosa-6(28),7,9,18,20,22(26)-hexaen-8-yl]amino]-2-oxidanylidene-ethyl]pentanamide |
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 | | NUO | | 表記: | 2-chloranyl-~{N}-[[1-(1-phenylazanylcyclobutyl)carbonylpiperidin-4-yl]methyl]ethanamide | | 組成式: | C19 H26 Cl N3 O2 | | SMILES: | ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCC2)Nc3ccccc3 | | InChi: | InChI=1S/C19H26ClN3O2/c20-13-17(24)21-14-15-7-11-23(12-8-15)18(25)19(9-4-10-19)22-16-5-2-1-3-6-16/h1-3,5-6,15,22H,4,7-14H2,(H,21,24) | | 定義日: | 2022-08-23 | | 最終更新日: | 2023-09-23 | | 公開日: | 2023-09-20 | | 識別子（ID）: | 2-chloranyl-~{N}-[[1-(1-phenylazanylcyclobutyl)carbonylpiperidin-4-yl]methyl]ethanamide |
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 | | NUX | | 表記: | 1-[(~{R})-[2-chloranyl-4-[(2~{S},3~{S})-4-(3-chlorophenyl)-2,3-dimethyl-piperazin-1-yl]carbonyl-phenyl]sulfinyl]-3,3-bis(fluoranyl)pentan-2-one | | 組成式: | C24 H26 Cl2 F2 N2 O3 S | | SMILES: | CCC(F)(F)C(=O)C[S](=O)c1ccc(cc1Cl)C(=O)N2CCN([CH](C)[CH]2C)c3cccc(Cl)c3 | | InChi: | InChI=1S/C24H26Cl2F2N2O3S/c1-4-24(27,28)22(31)14-34(33)21-9-8-17(12-20(21)26)23(32)30-11-10-29(15(2)16(30)3)19-7-5-6-18(25)13-19/h5-9,12-13,15-16H,4,10-11,14H2,1-3H3/t15-,16-,34+/m0/s1 | | 別名: | 1-[2-chloranyl-4-[(2~{S},3~{S})-4-(3-chlorophenyl)-2,3-dimethyl-piperazin-1-yl]carbonyl-phenyl]sulfinyl-3,3-bis(fluoranyl)pentan-2-one | | 定義日: | 2022-08-23 | | 最終更新日: | 2023-09-23 | | 公開日: | 2023-08-23 | | 識別子（ID）: | 1-[(~{R})-[2-chloranyl-4-[(2~{S},3~{S})-4-(3-chlorophenyl)-2,3-dimethyl-piperazin-1-yl]carbonyl-phenyl]sulfinyl]-3,3-bis(fluoranyl)pentan-2-one |
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 | | CUP | | 表記: | (N-SALICYLIDEN-L-PHENYLALANATO)-COPPER(II) | | 組成式: | C16 H13 Cu N O3 | | SMILES: | O=C1O[Cu]Oc2ccccc2C=N[CH]1Cc3ccccc3 | | InChi: | InChI=1S/C16H15NO3.Cu/c18-15-9-5-4-8-13(15)11-17-14(16(19)20)10-12-6-2-1-3-7-12 | | 定義日: | 2007-02-13 | | 最終更新日: | 2023-09-23 | | 識別子（ID）: | (6~{S})-6-(phenylmethyl)-2,4-dioxa-7$l^{4}-aza-3$l^{3}-cupratricyclo[7.4.0.0^{3,7}]trideca-1(13),7,9,11-tetraen-5-one |
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 | | CUS | | 表記: | (N-SALICYLIDEN-L-LEUCINATO)-COPPER(II) | | 組成式: | C13 H15 Cu N O3 | | SMILES: | CC(C)C[CH]1N=Cc2ccccc2O[Cu]OC1=O | | InChi: | InChI=1S/C13H17NO3.Cu/c1-9(2)7-11(13(16)17)14-8-10-5-3-4-6-12(10)15 | | 定義日: | 2007-02-15 | | 最終更新日: | 2023-09-23 | | 識別子（ID）: | (6~{S})-6-(2-methylpropyl)-2,4-dioxa-7$l^{4}-aza-3$l^{3}-cupratricyclo[7.4.0.0^{3,7}]trideca-1(13),7,9,11-tetraen-5-one |
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 | | PCD | | 表記: | (MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V) | | 組成式: | C19 H26 Mo N8 O16 P2 S2 | | SMILES: | O.NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]4Nc5nc(N)nc(O)c5N[CH]4C6=C3S[Mo](=O)(=O)S6)[CH](O)[CH]2O | | InChi: | InChI=1S/C19H26N8O13P2S2.Mo.H2O.2O/c20-7-1-2-27(19(31)22-7)17-11(29)10(28)5(39-17)3-36-41(32,33)40-42(34,35)37-4-6-12(43)13(44)8-16(38-6)24-14-9(23-8)15(30)26-18(21)25-14 | | 別名: | MOLYBDENUM COFACTOR | | 定義日: | 1999-07-08 | | 最終更新日: | 2023-09-23 | | 識別子（ID）: | [[(1~{R},10~{R},16~{R})-5-azanyl-13-$l^{3}-oxidanyl-7-oxidanyl-13,13-bis(oxidanylidene)-17-oxa-12,14-dithia-2,4,6,9-tetraza-13$l^{7}-molybdatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-3(8),4,6,11(15)-tetraen-16-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate |
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 | | PFC | | 表記: | PHENYLFERRICROCIN-IRON | | 組成式: | C34 H48 Fe N9 O12 | | SMILES: | CC(=O)[N]1CCC[CH]2NC(=O)CNC(=O)[CH](Cc3ccccc3)NC(=O)CNC(=O)[CH]4CCC[N](O[Fe](O1)O[N](CCC[CH](NC2=O)C(=O)N4)C(=O)C)C(=O)C | | InChi: | InChI=1S/C34H48N9O12.Fe/c1-21(44)41(53)15-7-12-25-31(49)35-20-30(48)38-28(18-24-10-5-4-6-11-24)32(50)36-19-29(47)37-26(13-8-16-42(54)22(2)45)33(51)40-27(34(52)39-25)14-9-17-43(55)23(3)46 | | 定義日: | 1999-07-12 | | 最終更新日: | 2023-09-23 |
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 | | JLN | | 表記: | 5-(FORMYLAMINO)-1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID | | 組成式: | C10 H14 N3 O10 P | | SMILES: | O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc(C(O)=O)c2NC=O | | InChi: | InChI=1S/C10H14N3O10P/c14-3-12-8-5(10(17)18)11-2-13(8)9-7(16)6(15)4(23-9)1-22-24(19,20)21/h2-4,6-7,9,15-16H,1H2,(H,12,14)(H,17,18)(H2,19,20,21)/t4-,6-,7-,9-/m1/s1 | | 定義日: | 2011-09-02 | | 最終更新日: | 2023-09-23 | | 識別子（ID）: | 1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-5-formamido-imidazole-4-carboxylic acid |
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 | | DW1 | | 表記: | Ruthenium pyridocarbazole | | 組成式: | C23 H13 N3 O4 Ru | | SMILES: | OC1=CC2=C3C(=C4N([Ru]C5C=CC=C5)C=CC=C4C6=C3C(=O)NC6=O)N=C2C=C1.[C-]#[O+] | | InChi: | InChI=1S/C17H9N3O3.C5H5.CO.Ru/c21-7-3-4-10-9(6-7)11-13-12(16(22)20-17(13)23)8-2-1-5-18-14(8)15(11)19-10 | | 定義日: | 2009-02-23 | | 最終更新日: | 2023-09-23 |
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 | | DW2 | | 表記: | RU-PYRIDOCARBAZOLE-2 | | 組成式: | C23 H13 N3 O4 Ru | | SMILES: | Oc1ccc2n([Ru]C3C=CC=C3)c4c5ncccc5c6C(=O)NC(=O)c6c4c2c1.[C-]#[O+] | | InChi: | InChI=1S/C17H9N3O3.C5H5.CO.Ru/c21-7-3-4-10-9(6-7)11-13-12(16(22)20-17(13)23)8-2-1-5-18-14(8)15(11)19-10 | | 定義日: | 2005-08-18 | | 最終更新日: | 2023-09-23 |
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 | | DWC | | 表記: | PYRIDOCARBAZOLE CYCLOPENTADIENYL OS(CO) COMPLEX | | 組成式: | C23 H9 N3 O4 Os | | SMILES: | Oc1ccc2n3[Os](C#[O+])[n+]4cccc5c6C(=O)NC(=O)c6c(c2c1)c3c45.C7C=CC=C7 | | InChi: | InChI=1S/C17H9N3O3.C5H.CO.Os/c21-7-3-4-10-9(6-7)11-13-12(16(22)20-17(13)23)8-2-1-5-18-14(8)15(11)19-10 | | 定義日: | 2008-01-18 | | 最終更新日: | 2023-09-23 |
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 | | XIO | | 表記: | [(2~{S})-2-[[4-(2-azanylethanoylamino)-7-[[(2~{S})-3-[2-(4-nitrophenyl)sulfanyl-1~{H}-indol-3-yl]-1-oxidanylidene-1-sodiooxy-propan-2-yl]amino]-4-[3-[[(2~{S})-3-[2-(4-nitrophenyl)sulfanyl-1~{H}-indol-3-yl]-1-oxidanylidene-1-sodiooxy-propan-2-yl]amino]-3-oxidanylidene-propyl]-7-oxidanylidene-heptanoyl]amino]-3-[2-(4-nitrophenyl)sulfanyl-1~{H}-indol-3-yl]propanoyl]oxysodium | | 組成式: | C63 H59 N11 O16 S3 | | SMILES: | NCC(=O)N[C](CCC(=O)N[CH](Cc1c([nH]c2ccccc12)Sc3ccc(cc3)[N+]([O-])=O)C(O)=O)(CCC(=O)N[CH](Cc4c([nH]c5ccccc45)Sc6ccc(cc6)[N+]([O-])=O)C(O)=O)CCC(=O)N[CH](Cc7c([nH]c8ccccc78)Sc9ccc(cc9)[N+]([O-])=O)C(O)=O | | InChi: | InChI=1S/C63H59N11O16S3/c64-34-56(78)71-63(28-25-53(75)65-50(60(79)80)31-44-41-7-1-4-10-47(41)68-57(44)91-38-19-13-35(14-20-38)72(85)86,29-26-54(76)66-51(61(81)82)32-45-42-8-2-5-11-48(42)69-58(45)92-39-21-15-36(16-22-39)73(87)88)30-27-55(77)67-52(62(83)84)33-46-43-9-3-6-12-49(43)70-59(46)93-40-23-17-37(18-24-40)74(89)90/h1-24,50-52,68-70H,25-34,64H2,(H,65,75)(H,66,76)(H,67,77)(H,71,78)(H,79,80)(H,81,82)(H,83,84)/t50-,51-,52-/m0/s1 | | 定義日: | 2023-06-07 | | 最終更新日: | 2023-09-22 | | 公開日: | 2023-09-27 | | 識別子（ID）: | (2~{S})-2-[[4-(2-azanylethanoylamino)-7-[[(2~{S})-3-[2-(4-nitrophenyl)sulfanyl-1~{H}-indol-3-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-[3-[[(2~{S})-3-[2-(4-nitrophenyl)sulfanyl-1~{H}-indol-3-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanylidene-propyl]-7-oxidanylidene-heptanoyl]amino]-3-[2-(4-nitrophenyl)sulfanyl-1~{H}-indol-3-yl]propanoic acid |
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 | | ZLL | | 表記: | 4-[[3,5-bis(fluoranyl)phenyl]methyl]-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide | | 組成式: | C19 H20 Br F2 N3 O | | SMILES: | Fc1cc(F)cc(CN2CCN(CC2)C(=O)NCc3ccc(Br)cc3)c1 | | InChi: | InChI=1S/C19H20BrF2N3O/c20-16-3-1-14(2-4-16)12-23-19(26)25-7-5-24(6-8-25)13-15-9-17(21)11-18(22)10-15/h1-4,9-11H,5-8,12-13H2,(H,23,26) | | 定義日: | 2022-12-02 | | 最終更新日: | 2023-09-22 | | 公開日: | 2023-09-27 | | 識別子（ID）: | 4-[[3,5-bis(fluoranyl)phenyl]methyl]-~{N}-[(4-bromophenyl)methyl]piperazine-1-carboxamide |
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 | | YYD | | 表記: | 6-amino-6-deoxy-alpha-D-glucopyranose | | 組成式: | C6 H13 N O5 | | SMILES: | OC1C(O)C(OC(O)C1O)CN | | InChi: | InChI=1S/C6H13NO5/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,8-11H,1,7H2/t2-,3-,4+,5-,6+/m1/s1 | | 定義日: | 2012-12-17 | | 最終更新日: | 2023-09-22 | | 公開日: | 2023-09-27 | | 識別子（ID）: | 6-amino-6-deoxy-alpha-D-glucopyranose |
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 | | G7U | | 表記: | N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2R)-2-hydroxy-4-oxododecanamido]ethyl}-beta-alaninamide | | 組成式: | C23 H44 N3 O10 P | | SMILES: | O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCNC(=O)C(O)CC(=O)CCCCCCCC | | InChi: | InChI=1S/C23H44N3O10P/c1-4-5-6-7-8-9-10-17(27)15-18(28)21(31)26-14-13-24-19(29)11-12-25-22(32)20(30)23(2,3)16-36-37(33,34)35/h18,20,28,30H,4-16H2,1-3H3,(H,24,29)(H,25,32)(H,26,31)(H2,33,34,35)/t18-,20+/m1/s1 | | 定義日: | 2023-04-27 | | 最終更新日: | 2023-09-22 | | 公開日: | 2023-09-27 | | 識別子（ID）: | N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2R)-2-hydroxy-4-oxododecanamido]ethyl}-beta-alaninamide |
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 | | JRI | | 表記: | (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-[(3S,4R)-4-fluoranylpyrrolidin-3-yl]-6-methyl-morpholine-2-carboxamide | | 組成式: | C20 H22 F N5 O2 | | SMILES: | C[CH]1CN(C[CH](O1)C(=O)N[CH]2CNC[CH]2F)c3ccc(C#N)c4ncccc34 | | InChi: | InChI=1S/C20H22FN5O2/c1-12-10-26(11-18(28-12)20(27)25-16-9-23-8-15(16)21)17-5-4-13(7-22)19-14(17)3-2-6-24-19/h2-6,12,15-16,18,23H,8-11H2,1H3,(H,25,27)/t12-,15-,16+,18-/m1/s1 | | 定義日: | 2022-08-25 | | 最終更新日: | 2023-09-22 | | 公開日: | 2023-09-27 | | 識別子（ID）: | (2~{R},6~{R})-4-(8-cyanoquinolin-5-yl)-~{N}-[(3~{S},4~{R})-4-fluoranylpyrrolidin-3-yl]-6-methyl-morpholine-2-carboxamide |
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 | | KM6 | | 表記: | 2-(4-chlorophenyl)-1,3,4-oxadiazole | | 組成式: | C8 H5 Cl N2 O | | SMILES: | Clc1ccc(cc1)c2ocnn2 | | InChi: | InChI=1S/C8H5ClN2O/c9-7-3-1-6(2-4-7)8-11-10-5-12-8/h1-5H | | 定義日: | 2022-09-27 | | 最終更新日: | 2023-09-22 | | 公開日: | 2023-09-27 | | 識別子（ID）: | 2-(4-chlorophenyl)-1,3,4-oxadiazole |
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 | | KYI | | 表記: | 5-(2-phenylphenyl)-1H-pyrimidine-2,4-dione | | 組成式: | C16 H12 N2 O2 | | SMILES: | O=C1NC=C(C(=O)N1)c2ccccc2c3ccccc3 | | InChi: | InChI=1S/C16H12N2O2/c19-15-14(10-17-16(20)18-15)13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-10H,(H2,17,18,19,20) | | 定義日: | 2022-06-07 | | 最終更新日: | 2023-09-22 | | 公開日: | 2023-09-27 | | 識別子（ID）: | 5-(2-phenylphenyl)-1~{H}-pyrimidine-2,4-dione |
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 | | H5X | | 表記: | 3-[[5-(cyclopenten-1-yl)-2-methoxycarbonyl-phenyl]sulfamoyl]benzenesulfonic acid | | 組成式: | C19 H19 N O7 S2 | | SMILES: | COC(=O)c1ccc(cc1N[S](=O)(=O)c2cccc(c2)[S](O)(=O)=O)C3=CCCC3 | | InChi: | InChI=1S/C19H19NO7S2/c1-27-19(21)17-10-9-14(13-5-2-3-6-13)11-18(17)20-28(22,23)15-7-4-8-16(12-15)29(24,25)26/h4-5,7-12,20H,2-3,6H2,1H3,(H,24,25,26) | | 定義日: | 2022-05-20 | | 最終更新日: | 2023-09-22 | | 公開日: | 2023-09-27 | | 識別子（ID）: | 3-[[5-(cyclopenten-1-yl)-2-methoxycarbonyl-phenyl]sulfamoyl]benzenesulfonic acid |
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 | | H6I | | 表記: | 4-(cyclopenten-1-yl)-2-[(3-sulfophenyl)sulfonylamino]benzoic acid | | 組成式: | C18 H17 N O7 S2 | | SMILES: | OC(=O)c1ccc(cc1N[S](=O)(=O)c2cccc(c2)[S](O)(=O)=O)C3=CCCC3 | | InChi: | InChI=1S/C18H17NO7S2/c20-18(21)16-9-8-13(12-4-1-2-5-12)10-17(16)19-27(22,23)14-6-3-7-15(11-14)28(24,25)26/h3-4,6-11,19H,1-2,5H2,(H,20,21)(H,24,25,26) | | 定義日: | 2022-05-20 | | 最終更新日: | 2023-09-22 | | 公開日: | 2023-09-27 | | 識別子（ID）: | 4-(cyclopenten-1-yl)-2-[(3-sulfophenyl)sulfonylamino]benzoic acid |
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