| L1W | 表記: | ~{N}-[3-[1-[[4-[5-[(4-hydroxyphenyl)methyl]-6-oxidanylidene-2-phenyl-1~{H}-pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide | 組成式: | C39 H38 N6 O4 | SMILES: | CCC(=O)Nc1ccc2NC(=O)N(C3CCN(CC3)Cc4ccc(cc4)C5=C(NC(=O)C(=N5)Cc6ccc(O)cc6)c7ccccc7)c2c1 | InChi: | InChI=1S/C39H38N6O4/c1-2-35(47)40-29-14-17-32-34(23-29)45(39(49)42-32)30-18-20-44(21-19-30)24-26-8-12-28(13-9-26)36-37(27-6-4-3-5-7-27)43-38(48)33(41-36)22-25-10-15-31(46)16-11-25/h3-17,23,30,46H,2,18-22,24H2,1H3,(H,40,47)(H,42,49)(H,43,48) | 定義日: | 2019-07-15 | 最終更新日: | 2019-10-11 | 公開日: | 2019-10-16 | 識別子(ID): | ~{N}-[3-[1-[[4-[5-[(4-hydroxyphenyl)methyl]-6-oxidanylidene-2-phenyl-1~{H}-pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide |
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| L1Z | 表記: | ~{N}-[3-[1-[[4-(5-methyl-6-oxidanylidene-3-phenyl-1~{H}-pyrazin-2-yl)phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide | 組成式: | C33 H34 N6 O3 | SMILES: | CCC(=O)Nc1ccc2NC(=O)N(C3CCN(CC3)Cc4ccc(cc4)C5=C(N=C(C)C(=O)N5)c6ccccc6)c2c1 | InChi: | InChI=1S/C33H34N6O3/c1-3-29(40)35-25-13-14-27-28(19-25)39(33(42)36-27)26-15-17-38(18-16-26)20-22-9-11-24(12-10-22)31-30(23-7-5-4-6-8-23)34-21(2)32(41)37-31/h4-14,19,26H,3,15-18,20H2,1-2H3,(H,35,40)(H,36,42)(H,37,41) | 定義日: | 2019-07-15 | 最終更新日: | 2019-10-11 | 公開日: | 2019-10-16 | 識別子(ID): | ~{N}-[3-[1-[[4-(5-methyl-6-oxidanylidene-3-phenyl-1~{H}-pyrazin-2-yl)phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide |
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| JX4 | 表記: | 6-[7-methoxy-6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine | 組成式: | C21 H23 N7 O | SMILES: | c1c(c(OC)cc2ncc(n12)c3nc(ccc3)NC4CNCC4)c5cn(C)nc5 | InChi: | InChI=1S/C21H23N7O/c1-27-12-14(9-24-27)16-13-28-18(11-23-21(28)8-19(16)29-2)17-4-3-5-20(26-17)25-15-6-7-22-10-15/h3-5,8-9,11-13,15,22H,6-7,10H2,1-2H3,(H,25,26)/t15-/m1/s1 | 定義日: | 2018-10-05 | 最終更新日: | 2019-10-11 | 公開日: | 2019-10-16 | 識別子(ID): | 6-[7-methoxy-6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine |
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| K5T | 表記: | (2~{R})-2-[[(2~{S})-2-[[(4~{R})-5-azanyl-4-[[(2~{S})-2-azanylpropanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-6-[2-[2-[2-[2-(2-azanylethanoylamino)ethanoylamino]ethanoylamino]ethanoylamino]ethanoylamino]hexanoyl]amino]propanoic acid | 組成式: | C27 H47 N11 O11 | SMILES: | C[CH](N)C(=O)N[CH](CCC(=O)N[CH](CCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN)C(=O)N[CH](C)C(O)=O)C(N)=O | InChi: | InChI=1S/C27H47N11O11/c1-14(29)25(46)38-16(24(30)45)6-7-18(39)37-17(26(47)36-15(2)27(48)49)5-3-4-8-31-20(41)10-33-22(43)12-35-23(44)13-34-21(42)11-32-19(40)9-28/h14-17H,3-13,28-29H2,1-2H3,(H2,30,45)(H,31,41)(H,32,40)(H,33,43)(H,34,42)(H,35,44)(H,36,47)(H,37,39)(H,38,46)(H,48,49)/t14-,15+,16+,17-/m0/s1 | 定義日: | 2019-04-26 | 最終更新日: | 2019-10-11 | 公開日: | 2019-10-16 | 識別子(ID): | (2~{R})-2-[[(2~{S})-2-[[(4~{R})-5-azanyl-4-[[(2~{S})-2-azanylpropanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-6-[2-[2-[2-[2-(2-azanylethanoylamino)ethanoylamino]ethanoylamino]ethanoylamino]ethanoylamino]hexanoyl]amino]propanoic acid |
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| AO6 | 表記: | 2-methyl-1-[(2R)-2-oxidanylpropyl]-9H-carbazole-3,4-dione | 組成式: | C16 H15 N O3 | SMILES: | C[CH](O)CC1=C(C)C(=O)C(=O)c2c1[nH]c3ccccc23 | InChi: | InChI=1S/C16H15NO3/c1-8(18)7-11-9(2)15(19)16(20)13-10-5-3-4-6-12(10)17-14(11)13/h3-6,8,17-18H,7H2,1-2H3/t8-/m1/s1 | 定義日: | 2018-11-13 | 最終更新日: | 2019-10-11 | 公開日: | 2019-10-16 | 識別子(ID): | 2-methyl-1-[(2~{R})-2-oxidanylpropyl]-9~{H}-carbazole-3,4-dione |
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| M2Z | 表記: | 1-[4-[4-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazine | 組成式: | C25 H29 N3 O3 | SMILES: | COc1cc(cc(OC)c1OC)c2cncc(c2C)c3ccc(cc3)N4CCNCC4 | InChi: | InChI=1S/C25H29N3O3/c1-17-21(18-5-7-20(8-6-18)28-11-9-26-10-12-28)15-27-16-22(17)19-13-23(29-2)25(31-4)24(14-19)30-3/h5-8,13-16,26H,9-12H2,1-4H3 | 定義日: | 2019-10-02 | 最終更新日: | 2019-10-11 | 公開日: | 2019-10-16 | 識別子(ID): | 1-[4-[4-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazine |
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| BQ3 | 表記: | tert-butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate | 組成式: | C14 H20 N2 O2 | SMILES: | C(OC(=O)N1Cc2c(CC1)ccc(N)c2)(C)(C)C | InChi: | InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-7-6-10-4-5-12(15)8-11(10)9-16/h4-5,8H,6-7,9,15H2,1-3H3 | 定義日: | 2019-02-28 | 最終更新日: | 2019-10-11 | 公開日: | 2019-10-16 | 識別子(ID): | tert-butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate |
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| RT0 | 表記: | (2S,4S)-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]pyrrolidine-2-carboxylic acid | 組成式: | C13 H13 F N4 O2 | SMILES: | O=C(O)C3NCC(n1nnc(c1)c2ccc(F)cc2)C3 | InChi: | InChI=1S/C13H13FN4O2/c14-9-3-1-8(2-4-9)12-7-18(17-16-12)10-5-11(13(19)20)15-6-10/h1-4,7,10-11,15H,5-6H2,(H,19,20)/t10-,11-/m0/s1 | 定義日: | 2013-04-23 | 最終更新日: | 2019-10-07 | 公開日: | 2013-05-01 | 識別子(ID): | (4S)-4-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]-L-proline |
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| TPK | 表記: | (1R)-1-[(2S)-pyrrolidin-2-yl]ethane-1,2-diol | 組成式: | C6 H13 N O2 | SMILES: | C(O)(CO)C1CCCN1 | InChi: | InChI=1S/C6H13NO2/c8-4-6(9)5-2-1-3-7-5/h5-9H,1-4H2/t5-,6-/m0/s1 | 定義日: | 2012-03-15 | 最終更新日: | 2019-10-07 | 識別子(ID): | (1R)-1-[(2S)-pyrrolidin-2-yl]ethane-1,2-diol |
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| VH0 | 表記: | (2S,4S)-4-[4-(aminomethyl)-1,2,3-triazol-1-yl]pyrrolidine-2-carboxylic acid | 組成式: | C8 H13 N5 O2 | SMILES: | O=C(O)C2NCC(n1nnc(c1)CN)C2 | InChi: | InChI=1S/C8H13N5O2/c9-2-5-4-13(12-11-5)6-1-7(8(14)15)10-3-6/h4,6-7,10H,1-3,9H2,(H,14,15)/t6-,7-/m0/s1 | 定義日: | 2013-04-23 | 最終更新日: | 2019-10-07 | 公開日: | 2013-05-01 | 識別子(ID): | (4S)-4-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]-L-proline |
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| ZWP | 表記: | 3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-8H-pyrrolo[1,2-a]pyrazin-5-ium-1-olate | 組成式: | C21 H21 N3 O | SMILES: | c1cccc4c1c(Cc2c[n+]3c(c(n2)[O-])CC=C3)c(C(C)(C)C=C)n4 | InChi: | InChI=1S/C21H21N3O/c1-4-21(2,3)19-16(15-8-5-6-9-17(15)23-19)12-14-13-24-11-7-10-18(24)20(25)22-14/h4-9,11,13,23H,1,10,12H2,2-3H3 | 定義日: | 2019-01-12 | 最終更新日: | 2019-10-04 | 公開日: | 2019-10-09 | 識別子(ID): | 3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-8H-pyrrolo[1,2-a]pyrazin-5-ium-1-olate |
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| YTW | 表記: | (3~{a}~{R},4~{S},5~{S},6~{S},7~{R},7~{a}~{S})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{H}-benzo[d][1,2,3]oxathiazole-4,5,6-triol | 組成式: | C7 H13 N O7 S | SMILES: | OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2N[S](=O)(=O)O[CH]12 | InChi: | InChI=1S/C7H13NO7S/c9-1-2-4(10)6(12)5(11)3-7(2)15-16(13,14)8-3/h2-12H,1H2/t2-,3-,4+,5+,6+,7+/m1/s1 | 定義日: | 2018-11-30 | 最終更新日: | 2019-10-04 | 公開日: | 2019-10-09 | 識別子(ID): | (3~{a}~{R},4~{S},5~{S},6~{S},7~{R},7~{a}~{S})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{H}-benzo[d][1,2,3]oxathiazole-4,5,6-triol |
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| XZ1 | 表記: | 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-ol | 組成式: | C15 H11 Cl F N3 O2 | SMILES: | COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O | InChi: | InChI=1S/C15H11ClFN3O2/c1-22-14-6-12-9(5-13(14)21)15(19-7-18-12)20-8-2-3-11(17)10(16)4-8/h2-7,21H,1H3,(H,18,19,20) | 定義日: | 2019-08-15 | 最終更新日: | 2019-10-04 | 公開日: | 2019-10-09 | 識別子(ID): | 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-ol |
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| L3J | 表記: | (E)-N-(2-methylpropylidene)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-D-threoninamide | 組成式: | C32 H46 N4 O5 S | SMILES: | C(C=NC(C(NCC2NC(=O)c1cc(cc(N(CCC)S(C)(=O)=O)c1)CCCCc3cccc(C2)c3)C(C)O)=O)(C)C | InChi: | InChI=1S/C32H46N4O5S/c1-6-14-36(42(5,40)41)29-18-26-11-8-7-10-24-12-9-13-25(15-24)17-28(35-31(38)27(16-26)19-29)21-33-30(23(4)37)32(39)34-20-22(2)3/h9,12-13,15-16,18-20,22-23,28,30,33,37H,6-8,10-11,14,17,21H2,1-5H3,(H,35,38)/b34-20+/t23-,28-,30+/m0/s1 | 定義日: | 2019-02-05 | 最終更新日: | 2019-10-04 | 公開日: | 2019-10-09 | 識別子(ID): | (E)-N-(2-methylpropylidene)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-D-threoninamide |
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| L3M | 表記: | (3S)-3-hydroxy-N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide | 組成式: | C34 H52 N4 O5 S | SMILES: | O=C3c1cc(cc(c1)CCCCc2cc(ccc2)CC(CNC(C(CCC)O)C(=O)NCC(C)C)N3)N(CCC)S(C)(=O)=O | InChi: | InChI=1S/C34H52N4O5S/c1-6-11-31(39)32(34(41)36-22-24(3)4)35-23-29-19-26-15-10-14-25(17-26)12-8-9-13-27-18-28(33(40)37-29)21-30(20-27)38(16-7-2)44(5,42)43/h10,14-15,17-18,20-21,24,29,31-32,35,39H,6-9,11-13,16,19,22-23H2,1-5H3,(H,36,41)(H,37,40)/t29-,31-,32-/m0/s1 | 定義日: | 2019-02-05 | 最終更新日: | 2019-10-04 | 公開日: | 2019-10-09 | 識別子(ID): | (3S)-3-hydroxy-N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide |
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| L4J | 表記: | N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide | 組成式: | C34 H52 N4 O4 S | SMILES: | c32cccc(CC(NC(=O)c1cc(cc(c1)CCCC2)N(CCC)S(=O)(C)=O)CNC(C(=O)NCC(C)C)CCCC)c3 | InChi: | InChI=1S/C34H52N4O4S/c1-6-8-16-32(34(40)36-23-25(3)4)35-24-30-20-27-15-11-14-26(18-27)12-9-10-13-28-19-29(33(39)37-30)22-31(21-28)38(17-7-2)43(5,41)42/h11,14-15,18-19,21-22,25,30,32,35H,6-10,12-13,16-17,20,23-24H2,1-5H3,(H,36,40)(H,37,39)/t30-,32-/m0/s1 | 定義日: | 2019-02-06 | 最終更新日: | 2019-10-04 | 公開日: | 2019-10-09 | 識別子(ID): | N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide |
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| LCJ | 表記: | 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide | 組成式: | C16 H14 F I N4 O3 | SMILES: | c1(c(C(=O)NOCCO)ccc2n1cnc2)Nc3c(F)cc(cc3)I | InChi: | InChI=1S/C16H14FIN4O3/c17-13-7-10(18)1-4-14(13)20-15-12(16(24)21-25-6-5-23)3-2-11-8-19-9-22(11)15/h1-4,7-9,20,23H,5-6H2,(H,21,24) | 定義日: | 2019-02-19 | 最終更新日: | 2019-10-04 | 公開日: | 2019-10-09 | 識別子(ID): | 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide |
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| KA4 | 表記: | N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-2,5-dichloro-3-(hydroxymethyl)benzene-1-sulfonamide | 組成式: | C19 H12 Cl2 F2 N4 O3 S | SMILES: | Nc1ncc(cn1)C#Cc2c(ccc(c2F)NS(c3c(Cl)c(cc(c3)Cl)CO)(=O)=O)F | InChi: | InChI=1S/C19H12Cl2F2N4O3S/c20-12-5-11(9-28)17(21)16(6-12)31(29,30)27-15-4-3-14(22)13(18(15)23)2-1-10-7-25-19(24)26-8-10/h3-8,27-28H,9H2,(H2,24,25,26) | 定義日: | 2018-11-16 | 最終更新日: | 2019-10-04 | 公開日: | 2019-10-09 | 識別子(ID): | N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-2,5-dichloro-3-(hydroxymethyl)benzene-1-sulfonamide |
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| KA7 | 表記: | N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-5-chloro-2-methoxypyridine-3-sulfonamide | 組成式: | C18 H12 Cl F2 N5 O3 S | SMILES: | c2c(c(C#Cc1cnc(N)nc1)c(F)c(c2)NS(c3cc(cnc3OC)Cl)(=O)=O)F | InChi: | InChI=1S/C18H12ClF2N5O3S/c1-29-17-15(6-11(19)9-23-17)30(27,28)26-14-5-4-13(20)12(16(14)21)3-2-10-7-24-18(22)25-8-10/h4-9,26H,1H3,(H2,22,24,25) | 定義日: | 2018-11-16 | 最終更新日: | 2019-10-04 | 公開日: | 2019-10-09 | 識別子(ID): | N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-5-chloro-2-methoxypyridine-3-sulfonamide |
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| KAV | 表記: | N-{6-[(1-methyl-2-{[4-(trifluoromethyl)phenyl]amino}-1H-benzimidazol-5-yl)oxy]pyrimidin-4-yl}cyclopropanecarboxamide | 組成式: | C23 H19 F3 N6 O2 | SMILES: | c1(ccc(cc1)C(F)(F)F)Nc5n(C)c4c(cc(Oc3cc(NC(C2CC2)=O)ncn3)cc4)n5 | InChi: | InChI=1S/C23H19F3N6O2/c1-32-18-9-8-16(34-20-11-19(27-12-28-20)31-21(33)13-2-3-13)10-17(18)30-22(32)29-15-6-4-14(5-7-15)23(24,25)26/h4-13H,2-3H2,1H3,(H,29,30)(H,27,28,31,33) | 定義日: | 2018-11-16 | 最終更新日: | 2019-10-04 | 公開日: | 2019-10-09 | 識別子(ID): | N-{6-[(1-methyl-2-{[4-(trifluoromethyl)phenyl]amino}-1H-benzimidazol-5-yl)oxy]pyrimidin-4-yl}cyclopropanecarboxamide |
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| KCZ | 表記: | 4-[2-[[(2~{R})-2-phenylpropyl]amino]ethyl]benzene-1,2-diol | 組成式: | C17 H21 N O2 | SMILES: | C[CH](CNCCc1ccc(O)c(O)c1)c2ccccc2 | InChi: | InChI=1S/C17H21NO2/c1-13(15-5-3-2-4-6-15)12-18-10-9-14-7-8-16(19)17(20)11-14/h2-8,11,13,18-20H,9-10,12H2,1H3/t13-/m0/s1 | 定義日: | 2019-05-13 | 最終更新日: | 2019-10-04 | 公開日: | 2019-10-09 | 識別子(ID): | 4-[2-[[(2~{R})-2-phenylpropyl]amino]ethyl]benzene-1,2-diol |
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| M9D | 表記: | (1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]ethan-1-amine | 組成式: | C11 H12 F N3 | SMILES: | c2ccc(c1cnc(C(C)N)n1)c(c2)F | InChi: | InChI=1S/C11H12FN3/c1-7(13)11-14-6-10(15-11)8-4-2-3-5-9(8)12/h2-7H,13H2,1H3,(H,14,15)/t7-/m0/s1 | 定義日: | 2019-03-27 | 最終更新日: | 2019-10-04 | 公開日: | 2019-10-09 | 識別子(ID): | (1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]ethan-1-amine |
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| M9G | 表記: | N-{(2S)-1-({(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]ethyl}amino)-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide | 組成式: | C30 H31 F N6 O4 | SMILES: | c1c(onc1C(=O)NC(C(NC(C)c2nc(cn2)c3ccccc3F)=O)CC(N5CCCC5c4ccccc4)=O)C | InChi: | InChI=1S/C30H31FN6O4/c1-18-15-24(36-41-18)30(40)35-23(16-27(38)37-14-8-13-26(37)20-9-4-3-5-10-20)29(39)33-19(2)28-32-17-25(34-28)21-11-6-7-12-22(21)31/h3-7,9-12,15,17,19,23,26H,8,13-14,16H2,1-2H3,(H,32,34)(H,33,39)(H,35,40)/t19-,23-,26+/m0/s1 | 定義日: | 2019-03-27 | 最終更新日: | 2019-10-04 | 公開日: | 2019-10-09 | 識別子(ID): | N-{(2S)-1-({(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]ethyl}amino)-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide |
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| M0B | 表記: | 2-[4-[2,6-bis(fluoranyl)phenoxy]-5-methyl-3-propan-2-yloxy-pyrazol-1-yl]-5-cyclopropyl-3-fluoranyl-pyridine | 組成式: | C21 H20 F3 N3 O2 | SMILES: | CC(C)Oc1nn(c(C)c1Oc2c(F)cccc2F)c3ncc(cc3F)C4CC4 | InChi: | InChI=1S/C21H20F3N3O2/c1-11(2)28-21-18(29-19-15(22)5-4-6-16(19)23)12(3)27(26-21)20-17(24)9-14(10-25-20)13-7-8-13/h4-6,9-11,13H,7-8H2,1-3H3 | 定義日: | 2019-10-01 | 最終更新日: | 2019-10-04 | 公開日: | 2019-10-09 | 識別子(ID): | 2-[4-[2,6-bis(fluoranyl)phenoxy]-5-methyl-3-propan-2-yloxy-pyrazol-1-yl]-5-cyclopropyl-3-fluoranyl-pyridine |
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| M5Y | 表記: | 1-(2,4-difluorophenyl)methanamine | 組成式: | C7 H7 F2 N | SMILES: | C(c1ccc(F)cc1F)N | InChi: | InChI=1S/C7H7F2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,4,10H2 | 定義日: | 2019-03-26 | 最終更新日: | 2019-10-04 | 公開日: | 2019-10-09 | 識別子(ID): | 1-(2,4-difluorophenyl)methanamine |
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