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VXN
VXN
表記:4-chloranylbenzenesulfonic acid
組成式:C6 H5 Cl O3 S
SMILES:O[S](=O)(=O)c1ccc(Cl)cc1
InChi:InChI=1S/C6H5ClO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H,8,9,10)
定義日:2023-04-12
最終更新日:2024-01-19
公開日:2024-01-24
識別子（ID）:4-chloranylbenzenesulfonic acid
VXZ
VXZ
表記:2-azanyl-5-sulfo-benzoic acid
組成式:C7 H7 N O5 S
SMILES:Nc1ccc(cc1C(O)=O)[S](O)(=O)=O
InChi:InChI=1S/C7H7NO5S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3H,8H2,(H,9,10)(H,11,12,13)
定義日:2023-04-12
最終更新日:2024-01-19
公開日:2024-01-24
識別子（ID）:2-azanyl-5-sulfo-benzoic acid
VZE
VZE
表記:5-[[octyl-[[4-(2-oxidanylphenoxy)phenyl]methyl]amino]methyl]-2-phenoxy-phenol
組成式:C34 H39 N O4
SMILES:CCCCCCCCN(Cc1ccc(Oc2ccccc2O)cc1)Cc3ccc(Oc4ccccc4)c(O)c3
InChi:InChI=1S/C34H39NO4/c1-2-3-4-5-6-12-23-35(25-27-17-20-30(21-18-27)39-33-16-11-10-15-31(33)36)26-28-19-22-34(32(37)24-28)38-29-13-8-7-9-14-29/h7-11,13-22,24,36-37H,2-6,12,23,25-26H2,1H3
定義日:2023-04-21
最終更新日:2024-01-19
公開日:2024-01-24
識別子（ID）:5-[[octyl-[[4-(2-oxidanylphenoxy)phenyl]methyl]amino]methyl]-2-phenoxy-phenol
S9F
S9F
表記:[[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-1$l^{4},3,5,7-tetrazabicyclo[4.3.0]nona-1(6),3,8-trien-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
組成式:C10 H17 N5 O14 P3
SMILES:NC1=NC(=O)[N-]2=C(N1)N(C=C2)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
InChi:InChI=1S/C10H17N5O14P3/c11-8-12-9-14(1-2-15(9)10(18)13-8)7-6(17)5(16)4(27-7)3-26-31(22,23)29-32(24,25)28-30(19,20)21/h1-2,4-7,16-17H,3H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,12,13,18)/q-1/t4-,5-,6-,7-/m1/s1
定義日:2023-08-24
最終更新日:2024-01-19
公開日:2024-01-24
識別子（ID）:[[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-3,5,7-triaza-1-azanuidabicyclo[4.3.0]nona-1(6),3,8-trien-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
W39
W39
表記:(6M)-3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)pyridin-2-yl]-6-[3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carboxamide
組成式:C22 H23 F3 N8 O
SMILES:FC(F)(F)c1cccnc1c1cnc(N)c(n1)C(=O)Nc1ncccc1N1CCC(C)(N)CC1
InChi:InChI=1S/C22H23F3N8O/c1-21(27)6-10-33(11-7-21)15-5-3-9-29-19(15)32-20(34)17-18(26)30-12-14(31-17)16-13(22(23,24)25)4-2-8-28-16/h2-5,8-9,12H,6-7,10-11,27H2,1H3,(H2,26,30)(H,29,32,34)
定義日:2023-09-22
最終更新日:2024-01-19
公開日:2024-01-24
識別子（ID）:(6M)-3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)pyridin-2-yl]-6-[3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carboxamide
WJ9
WJ9
表記:(3~{S})-~{N}-[4-methyl-3-[2-morpholin-4-yl-6-[[(2~{R})-1-oxidanylpropan-2-yl]amino]pyridin-4-yl]phenyl]-3-[2,2,2-tris(fluoranyl)ethyl]pyrrolidine-1-carboxamide
組成式:C26 H34 F3 N5 O3
SMILES:C[CH](CO)Nc1cc(cc(n1)N2CCOCC2)c3cc(NC(=O)N4CC[CH](C4)CC(F)(F)F)ccc3C
InChi:InChI=1S/C26H34F3N5O3/c1-17-3-4-21(31-25(36)34-6-5-19(15-34)14-26(27,28)29)13-22(17)20-11-23(30-18(2)16-35)32-24(12-20)33-7-9-37-10-8-33/h3-4,11-13,18-19,35H,5-10,14-16H2,1-2H3,(H,30,32)(H,31,36)/t18-,19+/m1/s1
定義日:2023-10-05
最終更新日:2024-01-19
公開日:2024-01-24
識別子（ID）:(3~{S})-~{N}-[4-methyl-3-[2-morpholin-4-yl-6-[[(2~{R})-1-oxidanylpropan-2-yl]amino]pyridin-4-yl]phenyl]-3-[2,2,2-tris(fluoranyl)ethyl]pyrrolidine-1-carboxamide
V5U
V5U
表記:(6M)-3-amino-N-{4-[(3R,4S)-4-amino-3-methoxypiperidin-1-yl]pyridin-3-yl}-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide
組成式:C22 H23 F3 N8 O3
SMILES:FC(F)(F)Oc1cccnc1c1cnc(N)c(n1)C(=O)Nc1cnccc1N1CCC(N)C(C1)OC
InChi:InChI=1S/C22H23F3N8O3/c1-35-17-11-33(8-5-12(17)26)15-4-7-28-9-13(15)32-21(34)19-20(27)30-10-14(31-19)18-16(3-2-6-29-18)36-22(23,24)25/h2-4,6-7,9-10,12,17H,5,8,11,26H2,1H3,(H2,27,30)(H,32,34)/t12-,17+/m0/s1
定義日:2023-09-08
最終更新日:2024-01-19
公開日:2024-01-24
識別子（ID）:(6M)-3-amino-N-{4-[(3R,4S)-4-amino-3-methoxypiperidin-1-yl]pyridin-3-yl}-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide
IJ5
IJ5
表記:(2~{R})-2-(2-chlorophenyl)-2-oxidanyl-ethanenitrile
組成式:C8 H6 Cl N O
SMILES:O[CH](C#N)c1ccccc1Cl
InChi:InChI=1S/C8H6ClNO/c9-7-4-2-1-3-6(7)8(11)5-10/h1-4,8,11H/t8-/m0/s1
別名:(R)-2-chloromandelonitrile
定義日:2022-07-04
最終更新日:2024-01-19
公開日:2024-01-24
識別子（ID）:(2~{R})-2-(2-chlorophenyl)-2-oxidanyl-ethanenitrile
WX9
WX9
表記:3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one
組成式:C26 H27 F3 N6 O
SMILES:C[CH]1C[C](C1)(c2cccc(c2)C3=CC(=CN([CH](C)c4cnn(C)c4)C3=O)C(F)(F)F)c5nncn5C
InChi:InChI=1S/C26H27F3N6O/c1-16-10-25(11-16,24-32-30-15-33(24)3)20-7-5-6-18(8-20)22-9-21(26(27,28)29)14-35(23(22)36)17(2)19-12-31-34(4)13-19/h5-9,12-17H,10-11H2,1-4H3/t16-,17-,25+/m0/s1
定義日:2023-10-17
最終更新日:2024-01-19
公開日:2024-01-24
識別子（ID）:3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1-[(1~{S})-1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one
XBF
XBF
表記:~{N}-methyl-~{N}-octyl-3,4,5-tris(oxidanyl)benzamide
組成式:C16 H25 N O4
SMILES:CCCCCCCCN(C)C(=O)c1cc(O)c(O)c(O)c1
InChi:InChI=1S/C16H25NO4/c1-3-4-5-6-7-8-9-17(2)16(21)12-10-13(18)15(20)14(19)11-12/h10-11,18-20H,3-9H2,1-2H3
定義日:2023-10-27
最終更新日:2024-01-19
公開日:2024-01-24
識別子（ID）:~{N}-methyl-~{N}-octyl-3,4,5-tris(oxidanyl)benzamide
QH0
QH0
表記:(phenylmethyl) N-[(2S)-4-methyl-1-[[(2S)-4-nitro-1-[(3R)-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamate
組成式:C22 H32 N4 O6
SMILES:CC(C)C[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](CC[N+]([O-])=O)C[CH]2CCNC2=O
InChi:InChI=1S/C22H32N4O6/c1-15(2)12-19(25-22(29)32-14-16-6-4-3-5-7-16)21(28)24-18(9-11-26(30)31)13-17-8-10-23-20(17)27/h3-7,15,17-19H,8-14H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)/t17-,18-,19+/m1/s1
定義日:2022-10-31
最終更新日:2024-01-16
公開日:2023-11-08
識別子（ID）:(phenylmethyl) ~{N}-[(2~{S})-4-methyl-1-[[(2~{S})-4-nitro-1-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamate
QH9
QH9
表記:5-[3-(6-methoxyisoquinolin-7-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-N-prop-2-ynyl-pyridine-3-carboxamide
組成式:C27 H21 N5 O2
SMILES:COc1cc2ccncc2cc1c3c[nH]c4ncc(cc34)c5cncc(c5)C(=O)N(C)CC#C
InChi:InChI=1S/C27H21N5O2/c1-4-7-32(2)27(33)21-8-18(13-29-14-21)20-10-23-24(16-31-26(23)30-15-20)22-9-19-12-28-6-5-17(19)11-25(22)34-3/h1,5-6,8-16H,7H2,2-3H3,(H,30,31)
定義日:2022-10-31
最終更新日:2024-01-16
公開日:2023-03-22
識別子（ID）:5-[3-(6-methoxyisoquinolin-7-yl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-~{N}-methyl-~{N}-prop-2-ynyl-pyridine-3-carboxamide
QHR
QHR
表記:7-[3-(isoquinolin-7-yloxymethyl)-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylic acid
組成式:C37 H32 N4 O4
SMILES:Cn1nc(COc2ccc3ccncc3c2)c(c1C)c4cccc5c(CCCOc6cccc7ccccc67)c([nH]c45)C(O)=O
InChi:InChI=1S/C37H32N4O4/c1-23-34(32(40-41(23)2)22-45-27-16-15-24-17-18-38-21-26(24)20-27)31-12-6-11-29-30(36(37(42)43)39-35(29)31)13-7-19-44-33-14-5-9-25-8-3-4-10-28(25)33/h3-6,8-12,14-18,20-21,39H,7,13,19,22H2,1-2H3,(H,42,43)
定義日:2022-11-01
最終更新日:2024-01-16
公開日:2023-02-22
識別子（ID）:7-[3-(isoquinolin-7-yloxymethyl)-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid
QIY
QIY
表記:(2S,4R)-N-[(1S)-1-(4-chlorophenyl)-3-[2-[2-[2-[2-[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8$l^{5},11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxidanylidene-propyl]-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide
組成式:C50 H63 Cl2 N9 O9 S
SMILES:CC(C)[CH](C(=O)N1C[CH](O)C[CH]1C(=O)N[CH](CC(=O)NCCOCCOCCOCCNC(=O)C[CH]2[NH2]=C(c3ccc(Cl)cc3)c4c(C)c(C)sc4n5c(C)nnc25)c6ccc(Cl)cc6)c7onc(C)c7
InChi:InChI=1S/C50H63Cl2N9O9S/c1-28(2)44(41-23-29(3)59-70-41)49(66)60-27-37(62)24-40(60)48(65)56-38(33-7-11-35(51)12-8-33)25-42(63)53-15-17-67-19-21-69-22-20-68-18-16-54-43(64)26-39-47-58-57-32(6)61(47)50-45(30(4)31(5)71-50)46(55-39)34-9-13-36(52)14-10-34/h7-14,23,28,37-40,44,62H,15-22,24-27,55H2,1-6H3,(H,53,63)(H,54,64)(H,56,65)/t37-,38+,39+,40+,44-/m1/s1
定義日:2022-11-02
最終更新日:2024-01-16
公開日:2023-02-15
識別子（ID）:(2~{S},4~{R})-~{N}-[(1~{S})-1-(4-chlorophenyl)-3-[2-[2-[2-[2-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8$l^{5},11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxidanylidene-propyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide
RBH
RBH
表記:~{N}-[(2~{S},3~{S},4~{S},5~{R})-2-(hydroxymethyl)-4,5,6-tris(oxidanyl)oxan-3-yl]-2-oxidanyl-ethanamide
組成式:C14 H27 N4 O9
SMILES:OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1NC(=O)COCCOCCOCCN=[N+]=N
InChi:InChI=1S/C14H26N4O9/c15-18-16-1-2-24-3-4-25-5-6-26-8-10(20)17-11-9(7-19)27-14(23)13(22)12(11)21/h9,11-15,19,21-23H,1-8H2/p+1/t9-,11-,12+,13-,14-/m1/s1
定義日:2022-11-28
最終更新日:2024-01-14
公開日:2023-11-29
識別子（ID）:azanylidene-[2-[2-[2-[2-[[(2~{S},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-4,5,6-tris(oxidanyl)oxan-3-yl]amino]-2-oxidanylidene-ethoxy]ethoxy]ethoxy]ethylimino]azanium
Y32
Y32
表記:(2~{S})-5-azanyl-5-oxidanylidene-2-[(3-phenoxyphenyl)carbonylamino]pentanoic acid
組成式:C18 H18 N2 O5
SMILES:NC(=O)CC[CH](NC(=O)c1cccc(Oc2ccccc2)c1)C(O)=O
InChi:InChI=1S/C18H18N2O5/c19-16(21)10-9-15(18(23)24)20-17(22)12-5-4-8-14(11-12)25-13-6-2-1-3-7-13/h1-8,11,15H,9-10H2,(H2,19,21)(H,20,22)(H,23,24)/t15-/m0/s1
定義日:2023-11-16
最終更新日:2024-01-12
公開日:2024-01-17
識別子（ID）:(2~{S})-5-azanyl-5-oxidanylidene-2-[(3-phenoxyphenyl)carbonylamino]pentanoic acid
Y3C
Y3C
表記:(2~{S})-5-azanyl-5-oxidanylidene-2-[[(2~{S})-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)-3-phenyl-propanoyl]amino]pentanoic acid
組成式:C22 H23 N3 O5
SMILES:NC(=O)CC[CH](NC(=O)[CH](Cc1ccccc1)N2Cc3ccccc3C2=O)C(O)=O
InChi:InChI=1S/C22H23N3O5/c23-19(26)11-10-17(22(29)30)24-20(27)18(12-14-6-2-1-3-7-14)25-13-15-8-4-5-9-16(15)21(25)28/h1-9,17-18H,10-13H2,(H2,23,26)(H,24,27)(H,29,30)/t17-,18-/m0/s1
定義日:2023-11-16
最終更新日:2024-01-12
公開日:2024-01-17
識別子（ID）:(2~{S})-5-azanyl-5-oxidanylidene-2-[[(2~{S})-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)-3-phenyl-propanoyl]amino]pentanoic acid
Y5E
Y5E
表記:mepyramine
組成式:C17 H23 N3 O
SMILES:COc1ccc(CN(CCN(C)C)c2ccccn2)cc1
InChi:InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3
別名:~{N}'-[(4-methoxyphenyl)methyl]-~{N},~{N}-dimethyl-~{N}'-pyridin-2-yl-ethane-1,2-diamine
定義日:2023-11-21
最終更新日:2024-01-12
公開日:2024-01-17
識別子（ID）:~{N}'-[(4-methoxyphenyl)methyl]-~{N},~{N}-dimethyl-~{N}'-pyridin-2-yl-ethane-1,2-diamine
Y5N
Y5N
表記:3-chloranyl-~{N}-[(1~{S})-1-(6-chloranylpyridin-3-yl)-2-phenyl-ethyl]aniline
組成式:C19 H16 Cl2 N2
SMILES:Clc1cccc(N[CH](Cc2ccccc2)c3ccc(Cl)nc3)c1
InChi:InChI=1S/C19H16Cl2N2/c20-16-7-4-8-17(12-16)23-18(11-14-5-2-1-3-6-14)15-9-10-19(21)22-13-15/h1-10,12-13,18,23H,11H2/t18-/m0/s1
定義日:2023-11-21
最終更新日:2024-01-12
公開日:2024-01-17
識別子（ID）:3-chloranyl-~{N}-[(1~{S})-1-(6-chloranylpyridin-3-yl)-2-phenyl-ethyl]aniline
Y5R
Y5R
表記:desloratadine
組成式:C19 H19 Cl N2
SMILES:Clc1ccc2c(CCc3cccnc3C2=C4CCNCC4)c1
InChi:InChI=1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2
別名:13-chloranyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaene
定義日:2023-11-21
最終更新日:2024-01-12
公開日:2024-01-17
識別子（ID）:13-chloranyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaene
ZUD
ZUD
表記:Udenafil
組成式:C25 H36 N6 O4 S
SMILES:CN1CCCC1CCNS(=O)(=O)c1cc(C2=NC(=O)c3c(N2)c(nn3C)CCC)c(OCCC)cc1
InChi:InChI=1S/C25H36N6O4S/c1-5-8-20-22-23(31(4)29-20)25(32)28-24(27-22)19-16-18(10-11-21(19)35-15-6-2)36(33,34)26-13-12-17-9-7-14-30(17)3/h10-11,16-17,26H,5-9,12-15H2,1-4H3,(H,27,28,32)/t17-/m1/s1
別名:(3P)-3-(1-methyl-7-oxo-3-propyl-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-{2-[(2R)-1-methylpyrrolidin-2-yl]ethyl}-4-propoxybenzene-1-sulfonamide
定義日:2023-10-06
最終更新日:2024-01-12
公開日:2024-01-17
識別子（ID）:(3P)-3-(1-methyl-7-oxo-3-propyl-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-{2-[(2R)-1-methylpyrrolidin-2-yl]ethyl}-4-propoxybenzene-1-sulfonamide
Y9D
Y9D
表記:1-[7-[6-ethenyl-8-ethoxy-7-(5-methyl-1~{H}-indazol-4-yl)-2-(1-methylpiperidin-4-yl)oxy-quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one
組成式:C36 H45 N7 O3
SMILES:CCOc1c2nc(OC3CCN(C)CC3)nc(N4CCC5(CC4)CN(C5)C(=O)CC)c2cc(C=C)c1c6c(C)ccc7[nH]ncc67
InChi:InChI=1S/C36H45N7O3/c1-6-24-19-26-32(33(45-8-3)31(24)30-23(4)9-10-28-27(30)20-37-40-28)38-35(46-25-11-15-41(5)16-12-25)39-34(26)42-17-13-36(14-18-42)21-43(22-36)29(44)7-2/h6,9-10,19-20,25H,1,7-8,11-18,21-22H2,2-5H3,(H,37,40)
定義日:2023-11-28
最終更新日:2024-01-12
公開日:2024-01-17
識別子（ID）:1-[7-[6-ethenyl-8-ethoxy-7-(5-methyl-1~{H}-indazol-4-yl)-2-(1-methylpiperidin-4-yl)oxy-quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one
YA6
YA6
表記:N-{(4P)-4-[(4P)-5-{3-[(8-fluoro-11-oxo-5,11-dihydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)methyl]phenyl}-2-(methylsulfanyl)-1H-imidazol-4-yl]pyridin-2-yl}acetamide
組成式:C31 H25 F N6 O2 S
SMILES:CC(=O)Nc1nccc(c1)c1nc(SC)[NH]c1c1cccc(c1)CN1c2cc(F)ccc2Nc2ccccc2C1=O
InChi:InChI=1S/C31H25FN6O2S/c1-18(39)34-27-15-21(12-13-33-27)29-28(36-31(37-29)41-2)20-7-5-6-19(14-20)17-38-26-16-22(32)10-11-25(26)35-24-9-4-3-8-23(24)30(38)40/h3-16,35H,17H2,1-2H3,(H,36,37)(H,33,34,39)
定義日:2023-01-19
最終更新日:2024-01-12
公開日:2024-01-17
識別子（ID）:N-{(4P)-4-[(4P)-5-{3-[(8-fluoro-11-oxo-5,11-dihydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)methyl]phenyl}-2-(methylsulfanyl)-1H-imidazol-4-yl]pyridin-2-yl}acetamide
YAA
YAA
表記:N-{(3P)-3-[(4P)-4-(2-acetamidopyridin-4-yl)-2-(methylsulfanyl)-1H-imidazol-5-yl]phenyl}-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepine-9-carboxamide
組成式:C31 H25 N7 O3 S
SMILES:CC(=O)Nc1nccc(c1)c1nc(SC)[NH]c1c1cc(ccc1)NC(=O)c1cccc2Nc3ccccc3C(=O)Nc12
InChi:InChI=1S/C31H25N7O3S/c1-17(39)33-25-16-19(13-14-32-25)27-26(37-31(38-27)42-2)18-7-5-8-20(15-18)34-30(41)22-10-6-12-24-28(22)36-29(40)21-9-3-4-11-23(21)35-24/h3-16,35H,1-2H3,(H,34,41)(H,36,40)(H,37,38)(H,32,33,39)
定義日:2023-01-19
最終更新日:2024-01-12
公開日:2024-01-17
識別子（ID）:N-{(3P)-3-[(4P)-4-(2-acetamidopyridin-4-yl)-2-(methylsulfanyl)-1H-imidazol-5-yl]phenyl}-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepine-9-carboxamide
YCH
YCH
表記:[(4~{S})-2-oxidanyl-1,3,2-dioxaborolan-4-yl]methanol
組成式:C3 H7 B O4
SMILES:OC[CH]1COB(O)O1
InChi:InChI=1S/C3H7BO4/c5-1-3-2-7-4(6)8-3/h3,5-6H,1-2H2/t3-/m0/s1
定義日:2023-06-13
最終更新日:2024-01-12
公開日:2024-01-17
識別子（ID）:[(4~{S})-2-oxidanyl-1,3,2-dioxaborolan-4-yl]methanol

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