| PJU | 表記: | [(3~{R})-4-[2-[2-[[3-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-1-[bis(fluoranyl)methyl]pyrazol-4-yl]methyl]phenoxy]ethyl]morpholin-3-yl]methanol | 組成式: | C22 H25 Cl F2 N6 O3 | SMILES: | Nc1nc(Cl)cc(n1)c2nn(cc2Cc3ccccc3OCCN4CCOC[CH]4CO)C(F)F | InChi: | InChI=1S/C22H25ClF2N6O3/c23-19-10-17(27-22(26)28-19)20-15(11-31(29-20)21(24)25)9-14-3-1-2-4-18(14)34-8-6-30-5-7-33-13-16(30)12-32/h1-4,10-11,16,21,32H,5-9,12-13H2,(H2,26,27,28)/t16-/m1/s1 | 定義日: | 2022-10-04 | 最終更新日: | 2023-03-24 | 公開日: | 2023-03-29 | 識別子(ID): | [(3~{R})-4-[2-[2-[[3-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-1-[bis(fluoranyl)methyl]pyrazol-4-yl]methyl]phenoxy]ethyl]morpholin-3-yl]methanol |
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| QL0 | 表記: | 3-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide | 組成式: | C11 H13 N O2 S | SMILES: | CN(CCS)C(=O)c1cccc(C=O)c1 | InChi: | InChI=1S/C11H13NO2S/c1-12(5-6-15)11(14)10-4-2-3-9(7-10)8-13/h2-4,7-8,15H,5-6H2,1H3 | 定義日: | 2022-11-08 | 最終更新日: | 2023-03-24 | 公開日: | 2023-03-29 | 識別子(ID): | 3-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide |
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| QL9 | 表記: | 3-bromanyl-4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide | 組成式: | C11 H12 Br N O2 S | SMILES: | CN(CCS)C(=O)c1ccc(C=O)c(Br)c1 | InChi: | InChI=1S/C11H12BrNO2S/c1-13(4-5-16)11(15)8-2-3-9(7-14)10(12)6-8/h2-3,6-7,16H,4-5H2,1H3 | 定義日: | 2022-11-08 | 最終更新日: | 2023-03-24 | 公開日: | 2023-03-29 | 識別子(ID): | 3-bromanyl-4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide |
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| QQ0 | 表記: | 4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzenesulfonamide | 組成式: | C10 H13 N O3 S2 | SMILES: | CN(CCS)[S](=O)(=O)c1ccc(C=O)cc1 | InChi: | InChI=1S/C10H13NO3S2/c1-11(6-7-15)16(13,14)10-4-2-9(8-12)3-5-10/h2-5,8,15H,6-7H2,1H3 | 定義日: | 2022-11-10 | 最終更新日: | 2023-03-24 | 公開日: | 2023-03-29 | 識別子(ID): | 4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzenesulfonamide |
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| IK7 | 表記: | Ridinilazole | 組成式: | C24 H16 N6 | SMILES: | [nH]1c2ccc(cc2nc1c3ccncc3)c4ccc5[nH]c(nc5c4)c6ccncc6 | InChi: | InChI=1S/C24H16N6/c1-3-19-21(29-23(27-19)15-5-9-25-10-6-15)13-17(1)18-2-4-20-22(14-18)30-24(28-20)16-7-11-26-12-8-16/h1-14H,(H,27,29)(H,28,30) | 別名: | 2-pyridin-4-yl-5-(2-pyridin-4-yl-1H-benzimidazol-5-yl)-1H-benzimidazole | 定義日: | 2022-03-25 | 最終更新日: | 2023-03-24 | 公開日: | 2023-03-29 | 識別子(ID): | 2-pyridin-4-yl-5-(2-pyridin-4-yl-1~{H}-benzimidazol-5-yl)-1~{H}-benzimidazole |
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| GC5 | 表記: | S-[2-[3-[[(2R)-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (Z)-hex-2-enethioate | 組成式: | C17 H31 N2 O8 P S | SMILES: | CCCC=CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O | InChi: | InChI=1S/C17H31N2O8PS/c1-4-5-6-7-14(21)29-11-10-18-13(20)8-9-19-16(23)15(22)17(2,3)12-27-28(24,25)26/h6-7,15,22H,4-5,8-12H2,1-3H3,(H,18,20)(H,19,23)(H2,24,25,26)/b7-6-/t15-/m0/s1 | 定義日: | 2022-01-28 | 最終更新日: | 2023-03-23 | 公開日: | 2023-02-01 | 識別子(ID): | ~{S}-[2-[3-[[(2~{R})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (~{Z})-hex-2-enethioate |
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| LVR | 表記: | 1-{[2-({6-[(2-aminoethyl)amino]-5,10-dioxo-5,10-dihydrobenzo[g]isoquinolin-9-yl}amino)ethyl]amino}-1,2-dideoxy-5-O-(dihydroxyphosphanyl)-L-threo-pentitol | 組成式: | C22 H30 N5 O8 P | SMILES: | O=P(O)(O)OCC(O)C(O)CCNCCNc1ccc(NCCN)c2c1C(=O)c1cnccc1C2=O | InChi: | InChI=1S/C22H30N5O8P/c23-5-8-26-15-1-2-16(20-19(15)21(30)13-3-6-25-11-14(13)22(20)31)27-10-9-24-7-4-17(28)18(29)12-35-36(32,33)34/h1-3,6,11,17-18,24,26-29H,4-5,7-10,12,23H2,(H2,32,33,34)/t17-,18-/m0/s1 | 定義日: | 2022-03-07 | 最終更新日: | 2023-03-21 | 公開日: | 2023-03-15 | 識別子(ID): | 1-{[2-({6-[(2-aminoethyl)amino]-5,10-dioxo-5,10-dihydrobenzo[g]isoquinolin-9-yl}amino)ethyl]amino}-1,2-dideoxy-5-O-phosphono-L-threo-pentitol |
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| X3D | 表記: | (14S,17R)-20-amino-17-hydroxy-11,17-dioxo-12,16,18-trioxa-17lambda~5~-phosphaicosan-14-yl tetradecanoate | 組成式: | C30 H60 N O8 P | SMILES: | NCCOP(O)(=O)OCC(COC(=O)CCCCCCCCCC)OC(=O)CCCCCCCCCCCCC | InChi: | InChI=1S/C30H60NO8P/c1-3-5-7-9-11-13-14-15-17-19-21-23-30(33)39-28(27-38-40(34,35)37-25-24-31)26-36-29(32)22-20-18-16-12-10-8-6-4-2/h28H,3-27,31H2,1-2H3,(H,34,35)/t28-/m0/s1 | 定義日: | 2022-10-26 | 最終更新日: | 2023-03-17 | 公開日: | 2023-03-22 | 識別子(ID): | (14S,17R)-20-amino-17-hydroxy-11,17-dioxo-12,16,18-trioxa-17lambda~5~-phosphaicosan-14-yl tetradecanoate |
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| WO9 | 表記: | (2R)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(dodecanoyloxy)propyl heptadecanoate | 組成式: | C34 H68 N O8 P | SMILES: | NCCOP(O)(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC | InChi: | InChI=1S/C34H68NO8P/c1-3-5-7-9-11-13-14-15-16-17-19-20-22-24-26-33(36)40-30-32(31-42-44(38,39)41-29-28-35)43-34(37)27-25-23-21-18-12-10-8-6-4-2/h32H,3-31,35H2,1-2H3,(H,38,39)/t32-/m1/s1 | 定義日: | 2022-10-04 | 最終更新日: | 2023-03-17 | 公開日: | 2023-03-22 | 識別子(ID): | (2R)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(dodecanoyloxy)propyl heptadecanoate |
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| Z3N | 表記: | 2-{3-[(1s,3R)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(3S)-3-methylpiperidin-1-yl]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one | 組成式: | C30 H34 F3 N5 O | SMILES: | Cn1cnnc1C1(CC(C)C1)c1cc(ccc1)N1Cc2c(cc(cc2C(F)(F)F)CN2CCCC(C)C2)C1=O | InChi: | InChI=1S/C30H34F3N5O/c1-19-6-5-9-37(15-19)16-21-10-24-25(26(11-21)30(31,32)33)17-38(27(24)39)23-8-4-7-22(12-23)29(13-20(2)14-29)28-35-34-18-36(28)3/h4,7-8,10-12,18-20H,5-6,9,13-17H2,1-3H3/t19-,20-,29+/m0/s1 | 定義日: | 2023-03-06 | 最終更新日: | 2023-03-17 | 公開日: | 2023-03-22 | 識別子(ID): | 2-{3-[(1s,3R)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(3S)-3-methylpiperidin-1-yl]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one |
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| YSW | 表記: | (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(dodecanoyloxy)propyl dodecanoate | 組成式: | C29 H58 N O8 P | SMILES: | NCCOP(O)(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC | InChi: | InChI=1S/C29H58NO8P/c1-3-5-7-9-11-13-15-17-19-21-28(31)35-25-27(26-37-39(33,34)36-24-23-30)38-29(32)22-20-18-16-14-12-10-8-6-4-2/h27H,3-26,30H2,1-2H3,(H,33,34)/t27-/m0/s1 | 定義日: | 2023-02-17 | 最終更新日: | 2023-03-17 | 公開日: | 2023-03-22 | 識別子(ID): | (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(dodecanoyloxy)propyl dodecanoate |
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| UP0 | 表記: | (1~{Z},3~{R},4~{S},7~{S},8~{Z})-8-ethylidene-4,7-bis(oxidanyl)-5-oxidanylidene-3-propyl-cyclononene-1,2-dicarboxylic acid | 組成式: | C16 H22 O7 | SMILES: | CCC[CH]1[CH](O)C(=O)C[CH](O)C(CC(=C1C(O)=O)C(O)=O)=CC | InChi: | InChI=1S/C16H22O7/c1-3-5-9-13(16(22)23)10(15(20)21)6-8(4-2)11(17)7-12(18)14(9)19/h4,9,11,14,17,19H,3,5-7H2,1-2H3,(H,20,21)(H,22,23)/b8-4-,13-10-/t9-,11+,14+/m1/s1 | 定義日: | 2023-02-08 | 最終更新日: | 2023-03-17 | 公開日: | 2023-03-22 | 識別子(ID): | (1~{Z},3~{R},4~{S},7~{S},8~{Z})-8-ethylidene-4,7-bis(oxidanyl)-5-oxidanylidene-3-propyl-cyclononene-1,2-dicarboxylic acid |
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| TT0 | 表記: | [(2~{S},7~{S},11~{S},15~{S},19~{R},22~{R},26~{S},30~{R},34~{R},38~{S},43~{S},47~{S},51~{S},55~{R},58~{R},62~{S},66~{R},70~{R})-38-(hydroxymethyl)-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacont-2-yl]methanol | 組成式: | C86 H172 O6 | SMILES: | C[CH]1CCC[CH](C)CCC[CH](C)CC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCO[CH](CO)COCC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCO[CH](CO)COCC[CH](C)CCC1 | InChi: | InChI=1S/C86H172O6/c1-69-29-17-33-73(5)41-25-49-81(13)57-61-89-67-85(65-87)91-63-59-83(15)52-28-44-76(8)36-20-32-72(4)40-24-48-80(12)56-54-78(10)46-22-38-70(2)30-18-34-74(6)42-26-50-82(14)58-62-90-68-86(66-88)92-64-60-84(16)51-27-43-75(7)35-19-31-71(3)39-23-47-79(11)55-53-77(9)45-21-37-69/h69-88H,17-68H2,1-16H3/t69-,70-,71-,72-,73-,74-,75+,76+,77+,78+,79+,80+,81-,82-,83+,84+,85-,86-/m0/s1 | 定義日: | 2022-06-23 | 最終更新日: | 2023-03-17 | 公開日: | 2023-03-22 | 識別子(ID): | [(2~{S},7~{S},11~{S},15~{S},19~{R},22~{R},26~{S},30~{R},34~{R},38~{S},43~{S},47~{S},51~{S},55~{R},58~{R},62~{S},66~{R},70~{R})-38-(hydroxymethyl)-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacont-2-yl]methanol |
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| U3E | 表記: | 2-[(cyclopropanecarbonyl)amino]-N-(5-phenylpyridin-3-yl)pyridine-4-carboxamide | 組成式: | C21 H18 N4 O2 | SMILES: | O=C(Nc1cc(ccn1)C(=O)Nc1cc(cnc1)c1ccccc1)C1CC1 | InChi: | InChI=1S/C21H18N4O2/c26-20(15-6-7-15)25-19-11-16(8-9-23-19)21(27)24-18-10-17(12-22-13-18)14-4-2-1-3-5-14/h1-5,8-13,15H,6-7H2,(H,24,27)(H,23,25,26) | 定義日: | 2022-08-03 | 最終更新日: | 2023-03-17 | 公開日: | 2023-03-22 | 識別子(ID): | 2-[(cyclopropanecarbonyl)amino]-N-(5-phenylpyridin-3-yl)pyridine-4-carboxamide |
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| U6S | 表記: | (4S)-3-[(cyclopropylmethyl)amino]-N-(4-phenylpyridin-3-yl)imidazo[1,2-b]pyridazine-8-carboxamide | 組成式: | C22 H20 N6 O | SMILES: | O=C(Nc1cnccc1c1ccccc1)c1ccnn2c(cnc12)NCC1CC1 | InChi: | InChI=1S/C22H20N6O/c29-22(27-19-13-23-10-8-17(19)16-4-2-1-3-5-16)18-9-11-26-28-20(14-25-21(18)28)24-12-15-6-7-15/h1-5,8-11,13-15,24H,6-7,12H2,(H,27,29) | 定義日: | 2022-08-08 | 最終更新日: | 2023-03-17 | 公開日: | 2023-03-22 | 識別子(ID): | (4S)-3-[(cyclopropylmethyl)amino]-N-(4-phenylpyridin-3-yl)imidazo[1,2-b]pyridazine-8-carboxamide |
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| UAU | 表記: | (4S)-N-{4-[(2S)-2-methylmorpholin-4-yl]pyridin-3-yl}-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide | 組成式: | C23 H22 N6 O2 | SMILES: | O=C(Nc1cnccc1N1CC(C)OCC1)c1ccnn2cc(nc21)c1ccccc1 | InChi: | InChI=1S/C23H22N6O2/c1-16-14-28(11-12-31-16)21-8-9-24-13-19(21)27-23(30)18-7-10-25-29-15-20(26-22(18)29)17-5-3-2-4-6-17/h2-10,13,15-16H,11-12,14H2,1H3,(H,27,30)/t16-/m0/s1 | 定義日: | 2022-08-15 | 最終更新日: | 2023-03-17 | 公開日: | 2023-03-22 | 識別子(ID): | (4S)-N-{4-[(2S)-2-methylmorpholin-4-yl]pyridin-3-yl}-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide |
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| A8A | 表記: | 4-[6-methoxy-5-[3-[[6-methoxy-2-(4-oxidanyl-4-oxidanylidene-butanoyl)-1-benzoselenophen-5-yl]oxy]propoxy]-1-benzoselenophen-2-yl]-4-oxidanylidene-butanoic acid | 組成式: | C29 H28 O10 Se2 | SMILES: | COc1cc2[se]c(cc2cc1OCCCOc3cc4cc([se]c4cc3OC)C(=O)CCC(O)=O)C(=O)CCC(O)=O | InChi: | InChI=1S/C29H28O10Se2/c1-36-20-14-24-16(12-26(40-24)18(30)4-6-28(32)33)10-22(20)38-8-3-9-39-23-11-17-13-27(19(31)5-7-29(34)35)41-25(17)15-21(23)37-2/h10-15H,3-9H2,1-2H3,(H,32,33)(H,34,35) | 定義日: | 2022-03-16 | 最終更新日: | 2023-03-17 | 公開日: | 2023-03-22 | 識別子(ID): | 4-[6-methoxy-5-[3-[[6-methoxy-2-(4-oxidanyl-4-oxidanylidene-butanoyl)-1-benzoselenophen-5-yl]oxy]propoxy]-1-benzoselenophen-2-yl]-4-oxidanylidene-butanoic acid |
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| 97F | 表記: | (2~{R})-2-[[3-methyl-6-(2-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]propanamide | 組成式: | C21 H20 N6 O2 | SMILES: | C[CH](Nc1cc(nn2c(C)nnc12)c3ccccc3Oc4ccccc4)C(N)=O | InChi: | InChI=1S/C21H20N6O2/c1-13(20(22)28)23-18-12-17(26-27-14(2)24-25-21(18)27)16-10-6-7-11-19(16)29-15-8-4-3-5-9-15/h3-13,23H,1-2H3,(H2,22,28)/t13-/m1/s1 | 定義日: | 2022-03-10 | 最終更新日: | 2023-03-17 | 公開日: | 2023-03-22 | 識別子(ID): | (2~{R})-2-[[3-methyl-6-(2-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]propanamide |
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| JVC | 表記: | 1-[(8R,15S,18S)-15-[[3-(aminomethyl)phenyl]methyl]-18-(4-azanylbutyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine | 組成式: | C34 H50 N10 O5 | SMILES: | NCCCC[CH]1NC(=O)Cc2cccc(CNC(=O)CNC(=O)[CH](CCCCNC(=O)[CH](Cc3cccc(CN)c3)NC1=O)NC(N)=N)c2 | InChi: | InChI=1S/C34H50N10O5/c35-13-3-1-11-27-33(49)43-28(17-22-7-5-9-24(15-22)19-36)32(48)39-14-4-2-12-26(44-34(37)38)31(47)41-21-30(46)40-20-25-10-6-8-23(16-25)18-29(45)42-27/h5-10,15-16,26-28H,1-4,11-14,17-21,35-36H2,(H,39,48)(H,40,46)(H,41,47)(H,42,45)(H,43,49)(H4,37,38,44)/t26-,27+,28+/m1/s1 | 定義日: | 2022-05-11 | 最終更新日: | 2023-03-17 | 公開日: | 2023-03-22 | 識別子(ID): | 1-[(8~{R},15~{S},18~{S})-15-[[3-(aminomethyl)phenyl]methyl]-18-(4-azanylbutyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine |
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| JVL | 表記: | 1-[(8R,15S,18S)-15-(4-azanylbutyl)-18-(1H-indol-3-ylmethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine | 組成式: | C35 H48 N10 O5 | SMILES: | NCCCC[CH]1NC(=O)[CH](Cc2c[nH]c3ccccc23)NC(=O)Cc4cccc(CNC(=O)CNC(=O)[CH](CCCCNC1=O)NC(N)=N)c4 | InChi: | InChI=1S/C35H48N10O5/c36-14-5-3-12-27-32(48)39-15-6-4-13-28(45-35(37)38)33(49)42-21-31(47)41-19-23-9-7-8-22(16-23)17-30(46)43-29(34(50)44-27)18-24-20-40-26-11-2-1-10-25(24)26/h1-2,7-11,16,20,27-29,40H,3-6,12-15,17-19,21,36H2,(H,39,48)(H,41,47)(H,42,49)(H,43,46)(H,44,50)(H4,37,38,45)/t27-,28+,29-/m0/s1 | 定義日: | 2022-05-11 | 最終更新日: | 2023-03-17 | 公開日: | 2023-03-22 | 識別子(ID): | 1-[(8~{R},15~{S},18~{S})-15-(4-azanylbutyl)-18-(1~{H}-indol-3-ylmethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine |
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| JVU | 表記: | 1-[(5R,8R,15S,18S)-15-(4-azanylbutyl)-5-(cyclohexylmethyl)-18-(naphthalen-2-ylmethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine | 組成式: | C44 H61 N9 O5 | SMILES: | NCCCC[CH]1NC(=O)[CH](Cc2ccc3ccccc3c2)NC(=O)Cc4cccc(CNC(=O)[CH](CC5CCCCC5)NC(=O)[CH](CCCCNC1=O)NC(N)=N)c4 | InChi: | InChI=1S/C44H61N9O5/c45-21-8-6-17-35-40(55)48-22-9-7-18-36(53-44(46)47)42(57)52-37(25-29-11-2-1-3-12-29)41(56)49-28-32-14-10-13-30(23-32)27-39(54)50-38(43(58)51-35)26-31-19-20-33-15-4-5-16-34(33)24-31/h4-5,10,13-16,19-20,23-24,29,35-38H,1-3,6-9,11-12,17-18,21-22,25-28,45H2,(H,48,55)(H,49,56)(H,50,54)(H,51,58)(H,52,57)(H4,46,47,53)/t35-,36+,37+,38-/m0/s1 | 定義日: | 2022-05-11 | 最終更新日: | 2023-03-17 | 公開日: | 2023-03-22 | 識別子(ID): | 1-[(5~{R},8~{R},15~{S},18~{S})-15-(4-azanylbutyl)-5-(cyclohexylmethyl)-18-(naphthalen-2-ylmethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine |
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| JW6 | 表記: | 1-[(8R,15S,18S)-15-(4-azanylbutyl)-18-[(3-azanyl-4-oxidanyl-phenyl)methyl]-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine | 組成式: | C33 H48 N10 O6 | SMILES: | NCCCC[CH]1NC(=O)[CH](Cc2ccc(O)c(N)c2)NC(=O)Cc3cccc(CNC(=O)CNC(=O)[CH](CCCCNC1=O)NC(N)=N)c3 | InChi: | InChI=1S/C33H48N10O6/c34-12-3-1-8-24-30(47)38-13-4-2-9-25(43-33(36)37)31(48)40-19-29(46)39-18-22-7-5-6-20(14-22)17-28(45)41-26(32(49)42-24)16-21-10-11-27(44)23(35)15-21/h5-7,10-11,14-15,24-26,44H,1-4,8-9,12-13,16-19,34-35H2,(H,38,47)(H,39,46)(H,40,48)(H,41,45)(H,42,49)(H4,36,37,43)/t24-,25+,26-/m0/s1 | 定義日: | 2022-05-11 | 最終更新日: | 2023-03-17 | 公開日: | 2023-03-22 | 識別子(ID): | 1-[(8~{R},15~{S},18~{S})-15-(4-azanylbutyl)-18-[(3-azanyl-4-oxidanyl-phenyl)methyl]-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine |
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| I9U | 表記: | 2-[4-(3,5-dimethylpyrazol-1-yl)-2,6-bis(fluoranyl)phenyl]-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)ethanamide | 組成式: | C20 H20 F2 N4 O2 | SMILES: | Cc1cc(C)n(n1)c2cc(F)c(CC(=O)Nc3noc4CCCCc34)c(F)c2 | InChi: | InChI=1S/C20H20F2N4O2/c1-11-7-12(2)26(24-11)13-8-16(21)15(17(22)9-13)10-19(27)23-20-14-5-3-4-6-18(14)28-25-20/h7-9H,3-6,10H2,1-2H3,(H,23,25,27) | 定義日: | 2022-03-03 | 最終更新日: | 2023-03-17 | 公開日: | 2023-03-22 | 識別子(ID): | 2-[4-(3,5-dimethylpyrazol-1-yl)-2,6-bis(fluoranyl)phenyl]-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)ethanamide |
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| IBW | 表記: | 1-[(5R,8R,15S,18S)-15-[[3-(aminomethyl)phenyl]methyl]-18-(4-azanylbutyl)-5-(cyclohexylmethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine | 組成式: | C41 H62 N10 O5 | SMILES: | NCCCC[CH]1NC(=O)Cc2cccc(CNC(=O)[CH](CC3CCCCC3)NC(=O)[CH](CCCCNC(=O)[CH](Cc4cccc(CN)c4)NC1=O)NC(N)=N)c2 | InChi: | InChI=1S/C41H62N10O5/c42-18-6-4-16-32-39(55)50-35(23-28-12-8-14-30(20-28)25-43)37(53)46-19-7-5-17-33(51-41(44)45)40(56)49-34(22-27-10-2-1-3-11-27)38(54)47-26-31-15-9-13-29(21-31)24-36(52)48-32/h8-9,12-15,20-21,27,32-35H,1-7,10-11,16-19,22-26,42-43H2,(H,46,53)(H,47,54)(H,48,52)(H,49,56)(H,50,55)(H4,44,45,51)/t32-,33+,34+,35-/m0/s1 | 定義日: | 2022-03-08 | 最終更新日: | 2023-03-17 | 公開日: | 2023-03-22 | 識別子(ID): | 1-[(5~{R},8~{R},15~{S},18~{S})-15-[[3-(aminomethyl)phenyl]methyl]-18-(4-azanylbutyl)-5-(cyclohexylmethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine |
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| IFT | 表記: | 2-[4-(2,4-dimethyl-1~{H}-imidazol-5-yl)phenyl]-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)ethanamide | 組成式: | C20 H22 N4 O2 | SMILES: | Cc1[nH]c(c(C)n1)c2ccc(CC(=O)Nc3noc4CCCCc34)cc2 | InChi: | InChI=1S/C20H22N4O2/c1-12-19(22-13(2)21-12)15-9-7-14(8-10-15)11-18(25)23-20-16-5-3-4-6-17(16)26-24-20/h7-10H,3-6,11H2,1-2H3,(H,21,22)(H,23,24,25) | 定義日: | 2022-03-17 | 最終更新日: | 2023-03-17 | 公開日: | 2023-03-22 | 識別子(ID): | 2-[4-(2,4-dimethyl-1~{H}-imidazol-5-yl)phenyl]-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)ethanamide |
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