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I8B
I8B
表記:(2~{S})-2-[[(2~{S})-4-azanyl-2-[(4-methylnaphthalen-1-yl)sulfonylamino]butanoyl]amino]-3-phenyl-propanimidic acid
組成式:C24 H28 N4 O4 S
SMILES:Cc1ccc(c2ccccc12)[S](=O)(=O)N[CH](CCN)C(=O)N[CH](Cc3ccccc3)C(O)=N
InChi:InChI=1S/C24H28N4O4S/c1-16-11-12-22(19-10-6-5-9-18(16)19)33(31,32)28-20(13-14-25)24(30)27-21(23(26)29)15-17-7-3-2-4-8-17/h2-12,20-21,28H,13-15,25H2,1H3,(H2,26,29)(H,27,30)/t20-,21-/m0/s1
定義日:2022-06-14
最終更新日:2022-07-29
公開日:2022-08-03
識別子（ID）:(2~{S})-2-[[(2~{S})-4-azanyl-2-[(4-methylnaphthalen-1-yl)sulfonylamino]butanoyl]amino]-3-phenyl-propanimidic acid
5R3
5R3
表記:~{N}-[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]-1-methyl-4-[3-[[1-methyl-4-[[1-methyl-4-[3-[[1-methyl-4-[(1-methylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]propanoylamino]imidazol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]propanoylamino]imidazole-2-carboxamide
組成式:C41 H55 N17 O8
SMILES:CN(C)CCCNC(=O)CCNC(=O)c1nc(NC(=O)CCNC(=O)c2cc(NC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nccn5C)cn4C)cn3C)cn2C)cn1C
InChi:InChI=1S/C41H55N17O8/c1-53(2)17-8-12-42-31(59)9-13-46-39(64)35-51-29(23-57(35)6)49-32(60)10-14-45-38(63)28-20-26(22-56(28)5)48-41(66)36-52-30(24-58(36)7)50-33(61)11-15-44-37(62)27-19-25(21-55(27)4)47-40(65)34-43-16-18-54(34)3/h16,18-24H,8-15,17H2,1-7H3,(H,42,59)(H,44,62)(H,45,63)(H,46,64)(H,47,65)(H,48,66)(H,49,60)(H,50,61)
定義日:2021-08-25
最終更新日:2022-07-29
公開日:2022-08-03
識別子（ID）:~{N}-[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]-1-methyl-4-[3-[[1-methyl-4-[[1-methyl-4-[3-[[1-methyl-4-[(1-methylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]propanoylamino]imidazol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]propanoylamino]imidazole-2-carboxamide
5RK
5RK
表記:(2R,3R,4R,5S)-1-[(4-{[4-(furan-2-yl)-2-methylanilino]methyl}phenyl)methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
組成式:C25 H30 N2 O5
SMILES:OCC1C(O)C(O)C(O)CN1Cc1ccc(cc1)CNc1ccc(cc1C)c1ccco1
InChi:InChI=1S/C25H30N2O5/c1-16-11-19(23-3-2-10-32-23)8-9-20(16)26-12-17-4-6-18(7-5-17)13-27-14-22(29)25(31)24(30)21(27)15-28/h2-11,21-22,24-26,28-31H,12-15H2,1H3/t21-,22+,24-,25-/m1/s1
定義日:2021-07-23
最終更新日:2022-07-29
公開日:2022-08-03
識別子（ID）:(2R,3R,4R,5S)-1-[(4-{[4-(furan-2-yl)-2-methylanilino]methyl}phenyl)methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
5Z0
5Z0
表記:2-[(6S,10R)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
組成式:C21 H18 Cl N7 O S2
SMILES:O=C(CC1N=C(c2ccc(Cl)cc2)c2c(C)c(C)sc2n2c(C)nnc21)Nc1nncs1
InChi:InChI=1S/C21H18ClN7OS2/c1-10-11(2)32-20-17(10)18(13-4-6-14(22)7-5-13)24-15(19-27-26-12(3)29(19)20)8-16(30)25-21-28-23-9-31-21/h4-7,9,15H,8H2,1-3H3,(H,25,28,30)/t15-/m0/s1
定義日:2021-07-28
最終更新日:2022-07-29
公開日:2022-08-03
識別子（ID）:2-[(6S,10R)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
5ZG
5ZG
表記:ethyl-4-methylbenzylphosphonate
組成式:C10 H15 O3 P
SMILES:CCO[P](O)(=O)Cc1ccc(C)cc1
InChi:InChI=1S/C10H15O3P/c1-3-13-14(11,12)8-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H,11,12)
定義日:2021-07-21
最終更新日:2022-07-29
公開日:2022-08-03
識別子（ID）:ethoxy-[(4-methylphenyl)methyl]phosphinic acid
5ZQ
5ZQ
表記:2-[(6S,10S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-[(pyridin-2-yl)methyl]acetamide
組成式:C25 H23 Cl N6 O S
SMILES:Clc1ccc(cc1)C1=NC(CC(=O)NCc2ccccn2)c2nnc(C)n2c2sc(C)c(C)c21
InChi:InChI=1S/C25H23ClN6OS/c1-14-15(2)34-25-22(14)23(17-7-9-18(26)10-8-17)29-20(24-31-30-16(3)32(24)25)12-21(33)28-13-19-6-4-5-11-27-19/h4-11,20H,12-13H2,1-3H3,(H,28,33)/t20-/m0/s1
定義日:2021-07-29
最終更新日:2022-07-29
公開日:2022-08-03
識別子（ID）:2-[(6S,10S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-[(pyridin-2-yl)methyl]acetamide
61F
61F
表記:N-[(1S)-1-(3-{4-chloro-3-[(methanesulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-6-[3-(methanesulfonyl)-3-methylbut-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide
組成式:C39 H36 Cl F8 N7 O5 S2
SMILES:CS(=O)(=O)Nc1nn(CC(F)(F)F)c2c1c(Cl)ccc2c1ccc(C#CC(C)(C)S(C)(=O)=O)nc1C(Cc1cc(F)cc(F)c1)NC(=O)Cn1nc(c2CCCCc21)C(F)(F)F
InChi:InChI=1S/C39H36ClF8N7O5S2/c1-37(2,61(3,57)58)14-13-24-9-10-25(26-11-12-28(40)32-34(26)55(20-38(43,44)45)52-36(32)53-62(4,59)60)33(49-24)29(17-21-15-22(41)18-23(42)16-21)50-31(56)19-54-30-8-6-5-7-27(30)35(51-54)39(46,47)48/h9-12,15-16,18,29H,5-8,17,19-20H2,1-4H3,(H,50,56)(H,52,53)/t29-/m0/s1
定義日:2021-07-30
最終更新日:2022-07-29
公開日:2022-08-03
識別子（ID）:N-[(1S)-1-(3-{4-chloro-3-[(methanesulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-6-[3-(methanesulfonyl)-3-methylbut-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide
4JI
4JI
表記:N-[2-[2-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-4,5-dimethoxy-phenyl]ethyl]ethanamide
組成式:C23 H27 N O6
SMILES:COc1ccc(OC)c(C=CC(=O)c2cc(OC)c(OC)cc2CCNC(C)=O)c1
InChi:InChI=1S/C23H27NO6/c1-15(25)24-11-10-16-13-22(29-4)23(30-5)14-19(16)20(26)8-6-17-12-18(27-2)7-9-21(17)28-3/h6-9,12-14H,10-11H2,1-5H3,(H,24,25)/b8-6+
定義日:2021-07-31
最終更新日:2022-07-29
公開日:2022-08-03
識別子（ID）:~{N}-[2-[2-[(~{E})-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-4,5-dimethoxy-phenyl]ethyl]ethanamide
8NI
8NI
表記:N-[(5S)-2-amino-5-formamido-6-oxo-5,6-dihydropyrimidin-4-yl]-2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosylamine
組成式:C10 H16 N5 O8 P
SMILES:O=P(O)(O)OCC1OC(NC2=NC(N)=NC(=O)C2NC=O)CC1O
InChi:InChI=1S/C10H16N5O8P/c11-10-14-8(7(12-3-16)9(18)15-10)13-6-1-4(17)5(23-6)2-22-24(19,20)21/h3-7,17H,1-2H2,(H,12,16)(H2,19,20,21)(H3,11,13,14,15,18)/t4-,5+,6+,7-/m0/s1
定義日:2021-09-22
最終更新日:2022-07-29
公開日:2022-08-03
識別子（ID）:N-[(5S)-2-amino-5-formamido-6-oxo-5,6-dihydropyrimidin-4-yl]-2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosylamine
8PI
8PI
表記:1-{[(5S)-2-amino-5-formamido-6-oxo-5,6-dihydropyrimidin-4-yl]amino}-1,2-dideoxy-5-O-phosphono-D-erythro-pentitol
組成式:C10 H18 N5 O8 P
SMILES:O=C1N=C(N)N=C(NCCC(O)C(O)COP(=O)(O)O)C1NC=O
InChi:InChI=1S/C10H18N5O8P/c11-10-14-8(7(13-4-16)9(19)15-10)12-2-1-5(17)6(18)3-23-24(20,21)22/h4-7,17-18H,1-3H2,(H,13,16)(H2,20,21,22)(H3,11,12,14,15,19)/t5-,6+,7-/m0/s1
定義日:2021-09-23
最終更新日:2022-07-29
公開日:2022-08-03
識別子（ID）:1-{[(5S)-2-amino-5-formamido-6-oxo-5,6-dihydropyrimidin-4-yl]amino}-1,2-dideoxy-5-O-phosphono-D-erythro-pentitol
1I2
1I2
表記:N-[2-(2-adamantylamino)ethyl]-1-[2,4-bis(fluoranyl)phenyl]-5-(4-chlorophenyl)-4-methyl-pyrazole-3-carboxamide
組成式:C29 H31 Cl F2 N4 O
SMILES:Cc1c(nn(c2ccc(F)cc2F)c1c3ccc(Cl)cc3)C(=O)NCCNC4C5CC6CC(C5)CC4C6
InChi:InChI=1S/C29H31ClF2N4O/c1-16-26(29(37)34-9-8-33-27-20-11-17-10-18(13-20)14-21(27)12-17)35-36(25-7-6-23(31)15-24(25)32)28(16)19-2-4-22(30)5-3-19/h2-7,15,17-18,20-21,27,33H,8-14H2,1H3,(H,34,37)/t17-,18+,20-,21+,27-
定義日:2022-01-21
最終更新日:2022-07-29
公開日:2022-08-03
識別子（ID）:~{N}-[2-(2-adamantylamino)ethyl]-1-[2,4-bis(fluoranyl)phenyl]-5-(4-chlorophenyl)-4-methyl-pyrazole-3-carboxamide
KJB
KJB
表記:3,3,3-tris(fluoranyl)-1-[4-[(1~{R})-1-[2-[[(2~{S})-5-(5-propan-2-yloxypyrimidin-4-yl)-2,3-dihydro-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]propan-1-one
組成式:C28 H33 F3 N8 O2
SMILES:CC(c1ccnc(NC2Nc3ccc(cc3N2)c2ncncc2OC(C)C)c1)N1CCN(CC1)C(=O)CC(F)(F)F
InChi:InChI=1S/C28H33F3N8O2/c1-17(2)41-23-15-32-16-34-26(23)20-4-5-21-22(12-20)36-27(35-21)37-24-13-19(6-7-33-24)18(3)38-8-10-39(11-9-38)25(40)14-28(29,30)31/h4-7,12-13,15-18,27,35-36H,8-11,14H2,1-3H3,(H,33,37)/t18-,27+/m1/s1
定義日:2019-05-22
最終更新日:2022-07-26
公開日:2020-04-01
識別子（ID）:3,3,3-trifluoro-1-{4-[(1R)-1-(2-{[(2S,5M)-5-{5-[(propan-2-yl)oxy]pyrimidin-4-yl}-2,3-dihydro-1H-benzimidazol-2-yl]amino}pyridin-4-yl)ethyl]piperazin-1-yl}propan-1-one
T0K
T0K
表記:(2S)-3-phenyl-2-({(2S)-3-phenyl-2-[3-(pyridin-3-yl)propanamido]propyl}sulfanyl)-N-[2-(pyridin-3-yl)ethyl]propanamide
組成式:C33 H36 N4 O2 S
SMILES:O=C(CCc1cccnc1)NC(Cc1ccccc1)CSC(Cc1ccccc1)C(=O)NCCc1cccnc1
InChi:InChI=1S/C33H36N4O2S/c38-32(16-15-28-13-7-18-34-23-28)37-30(21-26-9-3-1-4-10-26)25-40-31(22-27-11-5-2-6-12-27)33(39)36-20-17-29-14-8-19-35-24-29/h1-14,18-19,23-24,30-31H,15-17,20-22,25H2,(H,36,39)(H,37,38)/t30-,31-/m0/s1
定義日:2022-07-14
最終更新日:2022-07-22
公開日:2022-07-27
識別子（ID）:(2S)-3-phenyl-2-({(2S)-3-phenyl-2-[3-(pyridin-3-yl)propanamido]propyl}sulfanyl)-N-[2-(pyridin-3-yl)ethyl]propanamide
V6N
V6N
表記:(~{E})-2-cyano-3-(2~{H}-indazol-6-yl)-~{N}-(2-morpholin-4-ylethyl)prop-2-enamide
組成式:C17 H19 N5 O2
SMILES:O=C(NCCN1CCOCC1)C(=Cc2ccc3c[nH]nc3c2)C#N
InChi:InChI=1S/C17H19N5O2/c18-11-15(9-13-1-2-14-12-20-21-16(14)10-13)17(23)19-3-4-22-5-7-24-8-6-22/h1-2,9-10,12H,3-8H2,(H,19,23)(H,20,21)/b15-9+
定義日:2021-04-20
最終更新日:2022-07-22
公開日:2022-07-27
識別子（ID）:(~{E})-2-cyano-3-(2~{H}-indazol-6-yl)-~{N}-(2-morpholin-4-ylethyl)prop-2-enamide
NH0
NH0
表記:tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-4-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
組成式:C30 H37 N3 O3 S
SMILES:CC(C)(C)OC(=O)NC(Cc1ccccc1)CSC(Cc1ccccc1)C(=O)NCCc1ccncc1
InChi:InChI=1S/C30H37N3O3S/c1-30(2,3)36-29(35)33-26(20-24-10-6-4-7-11-24)22-37-27(21-25-12-8-5-9-13-25)28(34)32-19-16-23-14-17-31-18-15-23/h4-15,17-18,26-27H,16,19-22H2,1-3H3,(H,32,34)(H,33,35)/t26-,27+/m0/s1
定義日:2022-04-04
最終更新日:2022-07-22
公開日:2022-07-27
識別子（ID）:tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-4-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
NI6
NI6
表記:tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-4-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
組成式:C31 H39 N3 O3 S
SMILES:CC(C)(C)OC(=O)NC(Cc1ccccc1)CSC(Cc1ccccc1)C(=O)NCCCc1ccncc1
InChi:InChI=1S/C31H39N3O3S/c1-31(2,3)37-30(36)34-27(21-25-11-6-4-7-12-25)23-38-28(22-26-13-8-5-9-14-26)29(35)33-18-10-15-24-16-19-32-20-17-24/h4-9,11-14,16-17,19-20,27-28H,10,15,18,21-23H2,1-3H3,(H,33,35)(H,34,36)/t27-,28+/m0/s1
定義日:2022-04-04
最終更新日:2022-07-22
公開日:2022-07-27
識別子（ID）:tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-4-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
NXR
NXR
表記:N-[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]pyridine-3-carboxamide
組成式:C32 H34 N4 O2 S
SMILES:O=C(NC(Cc1ccccc1)CSC(Cc1ccccc1)C(=O)NCCCc1cccnc1)c1cccnc1
InChi:InChI=1S/C32H34N4O2S/c37-31(28-16-9-18-34-23-28)36-29(20-25-10-3-1-4-11-25)24-39-30(21-26-12-5-2-6-13-26)32(38)35-19-8-15-27-14-7-17-33-22-27/h1-7,9-14,16-18,22-23,29-30H,8,15,19-21,24H2,(H,35,38)(H,36,37)/t29-,30+/m0/s1
定義日:2022-04-13
最終更新日:2022-07-22
公開日:2022-07-27
識別子（ID）:N-[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]pyridine-3-carboxamide
NJ0
NJ0
表記:(2R)-3-phenyl-2-({(2S)-3-phenyl-2-[2-(pyridin-3-yl)acetamido]propyl}sulfanyl)-N-[(pyridin-3-yl)methyl]propanamide
組成式:C31 H32 N4 O2 S
SMILES:O=C(Cc1cccnc1)NC(Cc1ccccc1)CSC(Cc1ccccc1)C(=O)NCc1cccnc1
InChi:InChI=1S/C31H32N4O2S/c36-30(19-26-13-7-15-32-20-26)35-28(17-24-9-3-1-4-10-24)23-38-29(18-25-11-5-2-6-12-25)31(37)34-22-27-14-8-16-33-21-27/h1-16,20-21,28-29H,17-19,22-23H2,(H,34,37)(H,35,36)/t28-,29+/m0/s1
定義日:2022-04-04
最終更新日:2022-07-22
公開日:2022-07-27
識別子（ID）:(2R)-3-phenyl-2-({(2S)-3-phenyl-2-[2-(pyridin-3-yl)acetamido]propyl}sulfanyl)-N-[(pyridin-3-yl)methyl]propanamide
QFO
QFO
表記:(3S,4R)-3-fluoro-1-(4-{[8-{3-[(methanesulfonyl)methyl]azetidin-1-yl}-5-(propan-2-yl)-2,7-naphthyridin-3-yl]amino}pyrimidin-2-yl)-3-methylpiperidin-4-ol
組成式:C26 H34 F N7 O3 S
SMILES:CS(=O)(=O)CC1CN(C1)c1ncc(C(C)C)c2cc(ncc21)Nc1nc(ncc1)N1CCC(O)C(C)(F)C1
InChi:InChI=1S/C26H34FN7O3S/c1-16(2)19-10-30-24(34-12-17(13-34)14-38(4,36)37)20-11-29-23(9-18(19)20)31-22-5-7-28-25(32-22)33-8-6-21(35)26(3,27)15-33/h5,7,9-11,16-17,21,35H,6,8,12-15H2,1-4H3,(H,28,29,31,32)/t21-,26+/m1/s1
定義日:2022-06-08
最終更新日:2022-07-22
公開日:2022-07-27
識別子（ID）:(3S,4R)-3-fluoro-1-(4-{[8-{3-[(methanesulfonyl)methyl]azetidin-1-yl}-5-(propan-2-yl)-2,7-naphthyridin-3-yl]amino}pyrimidin-2-yl)-3-methylpiperidin-4-ol
NYF
NYF
表記:N-(2-oxo-2-{[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]amino}ethyl)pyridine-3-carboxamide
組成式:C34 H37 N5 O3 S
SMILES:O=C(NCC(=O)NC(Cc1ccccc1)CSC(Cc1ccccc1)C(=O)NCCCc1cccnc1)c1cccnc1
InChi:InChI=1S/C34H37N5O3S/c40-32(24-38-33(41)29-16-9-18-36-23-29)39-30(20-26-10-3-1-4-11-26)25-43-31(21-27-12-5-2-6-13-27)34(42)37-19-8-15-28-14-7-17-35-22-28/h1-7,9-14,16-18,22-23,30-31H,8,15,19-21,24-25H2,(H,37,42)(H,38,41)(H,39,40)/t30-,31+/m0/s1
定義日:2022-04-13
最終更新日:2022-07-22
公開日:2022-07-27
識別子（ID）:N-(2-oxo-2-{[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]amino}ethyl)pyridine-3-carboxamide
L49
L49
表記:(1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate
組成式:C19 H14 F4 N2 O2
SMILES:FC(F)(F)c1cccc(c1)C(=O)OC(Cn1ccnc1)c1ccc(F)cc1
InChi:InChI=1S/C19H14F4N2O2/c20-16-6-4-13(5-7-16)17(11-25-9-8-24-12-25)27-18(26)14-2-1-3-15(10-14)19(21,22)23/h1-10,12,17H,11H2/t17-/m1/s1
定義日:2021-07-23
最終更新日:2022-07-22
公開日:2022-07-27
識別子（ID）:(1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate
QG5
QG5
表記:(1M)-2-amino-1-(5-hydroxy-2-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
組成式:C18 H15 N5 O2
SMILES:NC(=O)c1c2nc3ccccc3nc2n(c1N)c1cc(O)ccc1C
InChi:InChI=1S/C18H15N5O2/c1-9-6-7-10(24)8-13(9)23-16(19)14(17(20)25)15-18(23)22-12-5-3-2-4-11(12)21-15/h2-8,24H,19H2,1H3,(H2,20,25)
定義日:2022-06-09
最終更新日:2022-07-22
公開日:2022-07-27
識別子（ID）:(1M)-2-amino-1-(5-hydroxy-2-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
NJO
NJO
表記:(2R)-3-phenyl-2-({(2S)-3-phenyl-2-[3-(pyridin-3-yl)propanamido]propyl}sulfanyl)-N-[2-(pyridin-3-yl)ethyl]propanamide
組成式:C33 H36 N4 O2 S
SMILES:O=C(CCc1cccnc1)NC(Cc1ccccc1)CSC(Cc1ccccc1)C(=O)NCCc1cccnc1
InChi:InChI=1S/C33H36N4O2S/c38-32(16-15-28-13-7-18-34-23-28)37-30(21-26-9-3-1-4-10-26)25-40-31(22-27-11-5-2-6-12-27)33(39)36-20-17-29-14-8-19-35-24-29/h1-14,18-19,23-24,30-31H,15-17,20-22,25H2,(H,36,39)(H,37,38)/t30-,31+/m0/s1
定義日:2022-04-04
最終更新日:2022-07-22
公開日:2022-07-27
識別子（ID）:(2R)-3-phenyl-2-({(2S)-3-phenyl-2-[3-(pyridin-3-yl)propanamido]propyl}sulfanyl)-N-[2-(pyridin-3-yl)ethyl]propanamide
QGI
QGI
表記:(1P)-2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
組成式:C18 H20 N4 O2
SMILES:NC(=O)c1c2cc(C)c(C)nc2n(c1N)c1c(C)ccc(O)c1C
InChi:InChI=1S/C18H20N4O2/c1-8-5-6-13(23)10(3)15(8)22-16(19)14(17(20)24)12-7-9(2)11(4)21-18(12)22/h5-7,23H,19H2,1-4H3,(H2,20,24)
定義日:2022-06-09
最終更新日:2022-07-22
公開日:2022-07-27
識別子（ID）:(1P)-2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
QGR
QGR
表記:(1P)-2-amino-6-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
組成式:C19 H16 Br N5 O2
SMILES:NC(=O)c1c2nc3cc(Br)ccc3nc2n(c1N)c1c(C)ccc(O)c1C
InChi:InChI=1S/C19H16BrN5O2/c1-8-3-6-13(26)9(2)16(8)25-17(21)14(18(22)27)15-19(25)24-11-5-4-10(20)7-12(11)23-15/h3-7,26H,21H2,1-2H3,(H2,22,27)
定義日:2022-06-09
最終更新日:2022-07-22
公開日:2022-07-27
識別子（ID）:(1P)-2-amino-6-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide

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件を2024-10-16に公開中

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