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RVQ
RVQ
表記:~{N}-[[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]methyl]-2-morpholin-4-yl-9-propan-2-yl-purin-6-amine
組成式:C20 H22 Cl2 N8 O
SMILES:CC(C)n1cnc2c(NCc3[nH]c4cc(Cl)c(Cl)cc4n3)nc(nc12)N5CCOCC5
InChi:InChI=1S/C20H22Cl2N8O/c1-11(2)30-10-24-17-18(27-20(28-19(17)30)29-3-5-31-6-4-29)23-9-16-25-14-7-12(21)13(22)8-15(14)26-16/h7-8,10-11H,3-6,9H2,1-2H3,(H,25,26)(H,23,27,28)
定義日:2022-12-06
最終更新日:2023-09-08
公開日:2023-09-13
識別子（ID）:~{N}-[[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]methyl]-2-morpholin-4-yl-9-propan-2-yl-purin-6-amine
RWE
RWE
表記:(2~{R})-2-[[6-(naphthalen-2-ylmethylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol
組成式:C23 H28 N6 O
SMILES:CC[CH](CO)Nc1nc(NCc2ccc3ccccc3c2)c4ncn(C(C)C)c4n1
InChi:InChI=1S/C23H28N6O/c1-4-19(13-30)26-23-27-21(20-22(28-23)29(14-25-20)15(2)3)24-12-16-9-10-17-7-5-6-8-18(17)11-16/h5-11,14-15,19,30H,4,12-13H2,1-3H3,(H2,24,26,27,28)/t19-/m1/s1
定義日:2022-12-07
最終更新日:2023-09-08
公開日:2023-09-13
識別子（ID）:(2~{R})-2-[[6-(naphthalen-2-ylmethylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol
RWN
RWN
表記:(2~{R})-2-[[6-[3-(3-methylphenyl)propylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol
組成式:C22 H32 N6 O
SMILES:CC[CH](CO)Nc1nc(NCCCc2cccc(C)c2)c3ncn(C(C)C)c3n1
InChi:InChI=1S/C22H32N6O/c1-5-18(13-29)25-22-26-20(19-21(27-22)28(14-24-19)15(2)3)23-11-7-10-17-9-6-8-16(4)12-17/h6,8-9,12,14-15,18,29H,5,7,10-11,13H2,1-4H3,(H2,23,25,26,27)/t18-/m1/s1
定義日:2022-12-07
最終更新日:2023-09-08
公開日:2023-09-13
識別子（ID）:(2~{R})-2-[[6-[3-(3-methylphenyl)propylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol
ULL
ULL
表記:propan-2-yl {4-[(5S)-1-(4-bromobenzoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl}carbamate
組成式:C26 H24 Br N3 O3
SMILES:O=C(c1ccc(Br)cc1)N1N=C(CC1c1ccccc1)c1ccc(NC(=O)OC(C)C)cc1
InChi:InChI=1S/C26H24BrN3O3/c1-17(2)33-26(32)28-22-14-10-18(11-15-22)23-16-24(19-6-4-3-5-7-19)30(29-23)25(31)20-8-12-21(27)13-9-20/h3-15,17,24H,16H2,1-2H3,(H,28,32)/t24-/m0/s1
定義日:2023-09-06
最終更新日:2023-09-08
公開日:2023-09-13
識別子（ID）:propan-2-yl {4-[(5S)-1-(4-bromobenzoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl}carbamate
WCJ
WCJ
表記:N-{4-[(5P)-4-amino-5-{3-fluoro-4-[(4-methylpyrimidin-2-yl)oxy]phenyl}-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl}-2-methylpropanamide
組成式:C28 H26 F N7 O2
SMILES:CC(C)C(=O)Nc1ccc(cc1)c1c(c2c(N)ncnc2n1C)c1ccc(Oc2nc(C)ccn2)c(F)c1
InChi:InChI=1S/C28H26FN7O2/c1-15(2)27(37)35-19-8-5-17(6-9-19)24-22(23-25(30)32-14-33-26(23)36(24)4)18-7-10-21(20(29)13-18)38-28-31-12-11-16(3)34-28/h5-15H,1-4H3,(H,35,37)(H2,30,32,33)
定義日:2023-05-11
最終更新日:2023-09-08
公開日:2023-06-07
識別子（ID）:N-{4-[(5P)-4-amino-5-{3-fluoro-4-[(4-methylpyrimidin-2-yl)oxy]phenyl}-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl}-2-methylpropanamide
XBQ
XBQ
表記:Nalpha-{[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]acetyl}-N-(4-methoxyphenyl)-N-methyl-L-phenylalaninamide
組成式:C29 H33 N5 O6 S
SMILES:O=S(=O)(c1ccc(N)cc1)N1CC(=O)N(CC(=O)NC(Cc2ccccc2)C(=O)N(C)c2ccc(OC)cc2)CC1
InChi:InChI=1S/C29H33N5O6S/c1-32(23-10-12-24(40-2)13-11-23)29(37)26(18-21-6-4-3-5-7-21)31-27(35)19-33-16-17-34(20-28(33)36)41(38,39)25-14-8-22(30)9-15-25/h3-15,26H,16-20,30H2,1-2H3,(H,31,35)/t26-/m0/s1
定義日:2022-11-10
最終更新日:2023-09-08
公開日:2023-09-13
識別子（ID）:Nalpha-{[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]acetyl}-N-(4-methoxyphenyl)-N-methyl-L-phenylalaninamide
RLC
RLC
表記:(2~{R})-2-[[6-[(3-fluoranyl-4-pyridin-2-yl-phenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol
組成式:C24 H28 F N7 O
SMILES:CC[CH](CO)Nc1nc(NCc2ccc(c(F)c2)c3ccccn3)c4ncn(C(C)C)c4n1
InChi:InChI=1S/C24H28FN7O/c1-4-17(13-33)29-24-30-22(21-23(31-24)32(14-28-21)15(2)3)27-12-16-8-9-18(19(25)11-16)20-7-5-6-10-26-20/h5-11,14-15,17,33H,4,12-13H2,1-3H3,(H2,27,29,30,31)/t17-/m1/s1
定義日:2022-12-01
最終更新日:2023-09-08
公開日:2023-09-13
識別子（ID）:(2~{R})-2-[[6-[(3-fluoranyl-4-pyridin-2-yl-phenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol
RMX
RMX
表記:1,3-dimethyl-5-[[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]methyl]pyrazole-4-sulfonamide
組成式:C26 H30 N10 O2 S
SMILES:CC(C)n1cnc2c(NCc3ccc(cc3)c4ccccn4)nc(NCc5n(C)nc(C)c5[S](N)(=O)=O)nc12
InChi:InChI=1S/C26H30N10O2S/c1-16(2)36-15-31-22-24(29-13-18-8-10-19(11-9-18)20-7-5-6-12-28-20)32-26(33-25(22)36)30-14-21-23(39(27,37)38)17(3)34-35(21)4/h5-12,15-16H,13-14H2,1-4H3,(H2,27,37,38)(H2,29,30,32,33)
定義日:2022-12-05
最終更新日:2023-09-08
公開日:2023-09-13
識別子（ID）:1,3-dimethyl-5-[[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]methyl]pyrazole-4-sulfonamide
RNF
RNF
表記:(2~{R})-2-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol
組成式:C25 H30 N6 O
SMILES:CC[CH](CO)Nc1nc(NCc2ccc(cc2)c3ccccc3)c4ncn(C(C)C)c4n1
InChi:InChI=1S/C25H30N6O/c1-4-21(15-32)28-25-29-23(22-24(30-25)31(16-27-22)17(2)3)26-14-18-10-12-20(13-11-18)19-8-6-5-7-9-19/h5-13,16-17,21,32H,4,14-15H2,1-3H3,(H2,26,28,29,30)/t21-/m1/s1
定義日:2022-12-05
最終更新日:2023-09-08
公開日:2023-09-13
識別子（ID）:(2~{R})-2-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol
QVI
QVI
表記:4-(aminomethyl)-~{N}-[(2~{S})-1-oxidanylidene-3-phenyl-1-[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]amino]propan-2-yl]cyclohexane-1-carboxamide
組成式:C24 H29 N7 O2
SMILES:NC[CH]1CC[CH](CC1)C(=O)N[CH](Cc2ccccc2)C(=O)Nc3ccc(cc3)c4[nH]nnn4
InChi:InChI=1S/C24H29N7O2/c25-15-17-6-8-19(9-7-17)23(32)27-21(14-16-4-2-1-3-5-16)24(33)26-20-12-10-18(11-13-20)22-28-30-31-29-22/h1-5,10-13,17,19,21H,6-9,14-15,25H2,(H,26,33)(H,27,32)(H,28,29,30,31)/t17-,19-,21-/m0/s1
定義日:2022-11-15
最終更新日:2023-09-08
公開日:2023-09-13
識別子（ID）:4-(aminomethyl)-~{N}-[(2~{S})-1-oxidanylidene-3-phenyl-1-[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]amino]propan-2-yl]cyclohexane-1-carboxamide
QW6
QW6
表記:4-[[(2~{S})-2-[4-(5-chloranyl-2-cyano-phenyl)-3-methoxy-6-oxidanylidene-2,5-dihydropyridin-1-yl]-3-[(2~{S})-oxan-2-yl]propanoyl]amino]benzoic acid
組成式:C28 H28 Cl N3 O6
SMILES:COC1=C(CC(=O)N(C1)[CH](C[CH]2CCCCO2)C(=O)Nc3ccc(cc3)C(O)=O)c4cc(Cl)ccc4C#N
InChi:InChI=1S/C28H28ClN3O6/c1-37-25-16-32(26(33)14-23(25)22-12-19(29)8-5-18(22)15-30)24(13-21-4-2-3-11-38-21)27(34)31-20-9-6-17(7-10-20)28(35)36/h5-10,12,21,24H,2-4,11,13-14,16H2,1H3,(H,31,34)(H,35,36)/t21-,24-/m0/s1
定義日:2022-11-15
最終更新日:2023-09-08
公開日:2023-09-13
識別子（ID）:4-[[(2~{S})-2-[4-(5-chloranyl-2-cyano-phenyl)-3-methoxy-6-oxidanylidene-2,5-dihydropyridin-1-yl]-3-[(2~{S})-oxan-2-yl]propanoyl]amino]benzoic acid
RP9
RP9
表記:~{N}-(5-bromanylpyridin-2-yl)-3-(4-oxidanylidenequinazolin-3-yl)propanamide
組成式:C16 H13 Br N4 O2
SMILES:Brc1ccc(NC(=O)CCN2C=Nc3ccccc3C2=O)nc1
InChi:InChI=1S/C16H13BrN4O2/c17-11-5-6-14(18-9-11)20-15(22)7-8-21-10-19-13-4-2-1-3-12(13)16(21)23/h1-6,9-10H,7-8H2,(H,18,20,22)
定義日:2022-12-05
最終更新日:2023-09-08
公開日:2023-09-13
識別子（ID）:~{N}-(5-bromanylpyridin-2-yl)-3-(4-oxidanylidenequinazolin-3-yl)propanamide
RQ5
RQ5
表記:2-[[6-[[4-(2-hydroxyethyloxy)phenyl]methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol
組成式:C21 H30 N6 O3
SMILES:CC[CH](CO)Nc1nc(NCc2ccc(OCCO)cc2)c3ncn(C(C)C)c3n1
InChi:InChI=1S/C21H30N6O3/c1-4-16(12-29)24-21-25-19(18-20(26-21)27(13-23-18)14(2)3)22-11-15-5-7-17(8-6-15)30-10-9-28/h5-8,13-14,16,28-29H,4,9-12H2,1-3H3,(H2,22,24,25,26)/t16-/m1/s1
定義日:2022-12-06
最終更新日:2023-09-08
公開日:2023-09-13
識別子（ID）:(2~{R})-2-[[6-[[4-(2-hydroxyethyloxy)phenyl]methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol
RQ9
RQ9
表記:(2~{R})-2-[[6-[[1-(3-chlorophenyl)pyrazol-3-yl]methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol
組成式:C22 H27 Cl N8 O
SMILES:CC[CH](CO)Nc1nc(NCc2ccn(n2)c3cccc(Cl)c3)c4ncn(C(C)C)c4n1
InChi:InChI=1S/C22H27ClN8O/c1-4-16(12-32)26-22-27-20(19-21(28-22)30(13-25-19)14(2)3)24-11-17-8-9-31(29-17)18-7-5-6-15(23)10-18/h5-10,13-14,16,32H,4,11-12H2,1-3H3,(H2,24,26,27,28)/t16-/m1/s1
定義日:2022-12-06
最終更新日:2023-09-08
公開日:2023-09-13
識別子（ID）:(2~{R})-2-[[6-[[1-(3-chlorophenyl)pyrazol-3-yl]methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol
RQU
RQU
表記:~{N}-[2-(2-methoxyphenyl)ethyl]-2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]ethanamide
組成式:C31 H34 N8 O2
SMILES:COc1ccccc1CCNC(=O)CNc2nc(NCc3ccc(cc3)c4ccccn4)c5ncn(C(C)C)c5n2
InChi:InChI=1S/C31H34N8O2/c1-21(2)39-20-36-28-29(34-18-22-11-13-23(14-12-22)25-9-6-7-16-32-25)37-31(38-30(28)39)35-19-27(40)33-17-15-24-8-4-5-10-26(24)41-3/h4-14,16,20-21H,15,17-19H2,1-3H3,(H,33,40)(H2,34,35,37,38)
定義日:2022-12-06
最終更新日:2023-09-08
公開日:2023-09-13
識別子（ID）:~{N}-[2-(2-methoxyphenyl)ethyl]-2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]ethanamide
RR9
RR9
表記:6-[[[2-[[(2~{R})-1-oxidanylbutan-2-yl]amino]-9-propan-2-yl-purin-6-yl]amino]methyl]-3-pyridin-2-yl-1~{H}-pyridin-2-one
組成式:C23 H28 N8 O2
SMILES:CC[CH](CO)Nc1nc(NCC2=CC=C(C(=O)N2)c3ccccn3)c4ncn(C(C)C)c4n1
InChi:InChI=1S/C23H28N8O2/c1-4-15(12-32)28-23-29-20(19-21(30-23)31(13-26-19)14(2)3)25-11-16-8-9-17(22(33)27-16)18-7-5-6-10-24-18/h5-10,13-15,32H,4,11-12H2,1-3H3,(H,27,33)(H2,25,28,29,30)/t15-/m1/s1
定義日:2022-12-06
最終更新日:2023-09-08
公開日:2023-09-13
識別子（ID）:6-[[[2-[[(2~{R})-1-oxidanylbutan-2-yl]amino]-9-propan-2-yl-purin-6-yl]amino]methyl]-3-pyridin-2-yl-1~{H}-pyridin-2-one
RS5
RS5
表記:1-[2,6-bis(chloranyl)phenyl]-6-[[4-(2-hydroxyethyloxy)phenyl]methyl]-3-propan-2-yl-5H-pyrazolo[3,4-d]pyrimidin-4-one
組成式:C23 H22 Cl2 N4 O3
SMILES:CC(C)c1nn(c2N=C(Cc3ccc(OCCO)cc3)NC(=O)c12)c4c(Cl)cccc4Cl
InChi:InChI=1S/C23H22Cl2N4O3/c1-13(2)20-19-22(29(28-20)21-16(24)4-3-5-17(21)25)26-18(27-23(19)31)12-14-6-8-15(9-7-14)32-11-10-30/h3-9,13,30H,10-12H2,1-2H3,(H,26,27,31)
定義日:2022-12-06
最終更新日:2023-09-08
公開日:2023-09-13
識別子（ID）:1-[2,6-bis(chloranyl)phenyl]-6-[[4-(2-hydroxyethyloxy)phenyl]methyl]-3-propan-2-yl-5~{H}-pyrazolo[3,4-d]pyrimidin-4-one
RSI
RSI
表記:2-morpholin-4-yl-9-propan-2-yl-~{N}-[(4-pyridin-2-ylphenyl)methyl]purin-6-amine
組成式:C24 H27 N7 O
SMILES:CC(C)n1cnc2c(NCc3ccc(cc3)c4ccccn4)nc(nc12)N5CCOCC5
InChi:InChI=1S/C24H27N7O/c1-17(2)31-16-27-21-22(28-24(29-23(21)31)30-11-13-32-14-12-30)26-15-18-6-8-19(9-7-18)20-5-3-4-10-25-20/h3-10,16-17H,11-15H2,1-2H3,(H,26,28,29)
定義日:2022-12-06
最終更新日:2023-09-08
公開日:2023-09-13
識別子（ID）:2-morpholin-4-yl-9-propan-2-yl-~{N}-[(4-pyridin-2-ylphenyl)methyl]purin-6-amine
RSU
RSU
表記:(2~{R})-2-[[6-(3-phenylpropylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol
組成式:C21 H30 N6 O
SMILES:CC[CH](CO)Nc1nc(NCCCc2ccccc2)c3ncn(C(C)C)c3n1
InChi:InChI=1S/C21H30N6O/c1-4-17(13-28)24-21-25-19(18-20(26-21)27(14-23-18)15(2)3)22-12-8-11-16-9-6-5-7-10-16/h5-7,9-10,14-15,17,28H,4,8,11-13H2,1-3H3,(H2,22,24,25,26)/t17-/m1/s1
定義日:2022-12-06
最終更新日:2023-09-08
公開日:2023-09-13
識別子（ID）:(2~{R})-2-[[6-(3-phenylpropylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol
7U5
7U5
表記:N-[(2R)-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide
組成式:C32 H28 N6 O2
SMILES:CCNC(=O)[CH](Cc1ccc(cc1)C#Cc2ccc3nccnc3c2)NC(=O)c4ccc5nc(C)c(C)nc5c4
InChi:InChI=1S/C32H28N6O2/c1-4-33-32(40)30(38-31(39)25-12-14-27-29(19-25)37-21(3)20(2)36-27)18-23-8-5-22(6-9-23)7-10-24-11-13-26-28(17-24)35-16-15-34-26/h5-6,8-9,11-17,19,30H,4,18H2,1-3H3,(H,33,40)(H,38,39)/t30-/m1/s1
定義日:2023-03-10
最終更新日:2023-09-08
公開日:2023-09-13
識別子（ID）:~{N}-[(2~{R})-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide
HWN
HWN
表記:3-[[6-tert-butyl-2-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile
組成式:C20 H30 N6 S
SMILES:CN1CC[CH](C1)N(C)c2nc3cc(sc3c(n2)N(C)CCC#N)C(C)(C)C
InChi:InChI=1S/C20H30N6S/c1-20(2,3)16-12-15-17(27-16)18(25(5)10-7-9-21)23-19(22-15)26(6)14-8-11-24(4)13-14/h12,14H,7-8,10-11,13H2,1-6H3/t14-/m0/s1
定義日:2019-01-02
最終更新日:2023-09-06
公開日:2020-05-06
識別子（ID）:3-[[6-~{tert}-butyl-2-[methyl-[(3~{S})-1-methylpyrrolidin-3-yl]amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile
8VB
8VB
表記:2-[[3-[[5-(3-iodanylphenyl)carbonylthiophen-2-yl]carbonylamino]phenyl]methyl]propanedioic acid
組成式:C22 H16 I N O6 S
SMILES:OC(=O)C(Cc1cccc(NC(=O)c2sc(cc2)C(=O)c3cccc(I)c3)c1)C(O)=O
InChi:InChI=1S/C22H16INO6S/c23-14-5-2-4-13(11-14)19(25)17-7-8-18(31-17)20(26)24-15-6-1-3-12(9-15)10-16(21(27)28)22(29)30/h1-9,11,16H,10H2,(H,24,26)(H,27,28)(H,29,30)
別名:JES107
定義日:2017-03-10
最終更新日:2023-09-05
公開日:2018-02-21
識別子（ID）:2-[[3-[[5-(3-iodanylphenyl)carbonylthiophen-2-yl]carbonylamino]phenyl]methyl]propanedioic acid
O06
O06
表記:~{N}-[3-methyl-2-(3-methyl-3-oxidanyl-butyl)-6-(2-oxidanylpropan-2-yl)benzimidazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
組成式:C23 H27 F3 N4 O3
SMILES:Cn1c(CCC(C)(C)O)nc2cc(c(NC(=O)c3cccc(n3)C(F)(F)F)cc12)C(C)(C)O
InChi:InChI=1S/C23H27F3N4O3/c1-21(2,32)10-9-19-28-16-11-13(22(3,4)33)15(12-17(16)30(19)5)29-20(31)14-7-6-8-18(27-14)23(24,25)26/h6-8,11-12,32-33H,9-10H2,1-5H3,(H,29,31)
定義日:2022-08-25
最終更新日:2023-09-01
公開日:2023-09-06
識別子（ID）:~{N}-[3-methyl-2-(3-methyl-3-oxidanyl-butyl)-6-(2-oxidanylpropan-2-yl)benzimidazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
L2V
L2V
表記:N-[(2R)-1-(ethylamino)-1-oxidanylidene-3-[3-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide
組成式:C32 H28 N6 O2
SMILES:CCNC(=O)[CH](Cc1cccc(c1)C#Cc2ccc3nccnc3c2)NC(=O)c4ccc5nc(C)c(C)nc5c4
InChi:InChI=1S/C32H28N6O2/c1-4-33-32(40)30(38-31(39)25-11-13-27-29(19-25)37-21(3)20(2)36-27)18-24-7-5-6-22(16-24)8-9-23-10-12-26-28(17-23)35-15-14-34-26/h5-7,10-17,19,30H,4,18H2,1-3H3,(H,33,40)(H,38,39)/t30-/m1/s1
定義日:2023-08-21
最終更新日:2023-09-01
公開日:2023-09-06
識別子（ID）:~{N}-[(2~{R})-1-(ethylamino)-1-oxidanylidene-3-[3-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide
LOO
LOO
表記:2-[4-[[2,5-bis(oxidanylidene)-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid
組成式:C23 H23 F3 N2 O5
SMILES:Cc1cc(CN2C(=O)CN(C2=O)c3ccc(cc3)C(F)(F)F)cc(C)c1OC(C)(C)C(O)=O
InChi:InChI=1S/C23H23F3N2O5/c1-13-9-15(10-14(2)19(13)33-22(3,4)20(30)31)11-28-18(29)12-27(21(28)32)17-7-5-16(6-8-17)23(24,25)26/h5-10H,11-12H2,1-4H3,(H,30,31)
定義日:2022-12-01
最終更新日:2023-09-01
公開日:2023-09-06
識別子（ID）:2-[4-[[2,5-bis(oxidanylidene)-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid

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件を2024-08-07に公開中

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