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LCB
LCB
表記:4-[(6-ethyl-7~{H}-purin-2-yl)amino]benzenesulfonamide
組成式:C13 H14 N6 O2 S
SMILES:CCc1nc(Nc2ccc(cc2)[S](N)(=O)=O)nc3nc[nH]c13
InChi:InChI=1S/C13H14N6O2S/c1-2-10-11-12(16-7-15-11)19-13(18-10)17-8-3-5-9(6-4-8)22(14,20)21/h3-7H,2H2,1H3,(H2,14,20,21)(H2,15,16,17,18,19)
定義日:2019-08-05
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:4-[(6-ethyl-7~{H}-purin-2-yl)amino]benzenesulfonamide
LCQ
LCQ
表記:2-phenylazanyl-9~{H}-purine-6-carbonitrile
組成式:C12 H8 N6
SMILES:N#Cc1nc(Nc2ccccc2)nc3[nH]cnc13
InChi:InChI=1S/C12H8N6/c13-6-9-10-11(15-7-14-10)18-12(17-9)16-8-4-2-1-3-5-8/h1-5,7H,(H2,14,15,16,17,18)
定義日:2019-08-05
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:2-phenylazanyl-9~{H}-purine-6-carbonitrile
LCW
LCW
表記:2-[4-[(6-ethenyl-9~{H}-purin-2-yl)amino]phenyl]ethanamide
組成式:C15 H14 N6 O
SMILES:NC(=O)Cc1ccc(Nc2nc3[nH]cnc3c(C=C)n2)cc1
InChi:InChI=1S/C15H14N6O/c1-2-11-13-14(18-8-17-13)21-15(20-11)19-10-5-3-9(4-6-10)7-12(16)22/h2-6,8H,1,7H2,(H2,16,22)(H2,17,18,19,20,21)
定義日:2019-08-05
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:2-[4-[(6-ethenyl-9~{H}-purin-2-yl)amino]phenyl]ethanamide
LD5
LD5
表記:4-[(6-ethenyl-7~{H}-purin-2-yl)amino]benzenesulfonamide
組成式:C13 H12 N6 O2 S
SMILES:N[S](=O)(=O)c1ccc(Nc2nc(C=C)c3[nH]cnc3n2)cc1
InChi:InChI=1S/C13H12N6O2S/c1-2-10-11-12(16-7-15-11)19-13(18-10)17-8-3-5-9(6-4-8)22(14,20)21/h2-7H,1H2,(H2,14,20,21)(H2,15,16,17,18,19)
定義日:2019-08-05
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:4-[(6-ethenyl-7~{H}-purin-2-yl)amino]benzenesulfonamide
O7S
O7S
表記:(3R,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione
組成式:C30 H40 F N3 O6
SMILES:C2(CC(Cc1nc(co1)C(N3C(C(OC(C(C)C)C(C=CC(=O)NCC=CC(=C2)C)C/C=C)=O)CCC3)=O)F)O
InChi:InChI=1S/C30H40FN3O6/c1-5-8-21-11-12-26(36)32-13-6-9-20(4)15-23(35)16-22(31)17-27-33-24(18-39-27)29(37)34-14-7-10-25(34)30(38)40-28(21)19(2)3/h5-6,9,11-12,15,18-19,21-23,25,28,35H,1,7-8,10,13-14,16-17H2,2-4H3,(H,32,36)/b9-6+,12-11+,20-15+/t21-,22-,23-,25-,28-/m1/s1
定義日:2019-06-17
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:(3R,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione
O7V
O7V
表記:(2R)-2-[(3S,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-4,12-dimethyl-1,7,22-trioxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate
組成式:C38 H44 F N5 O8
SMILES:C2(=CC(O)CC(Cc1nc(co1)C(N5C(C(OC(C(C=CC(NCC=C2)=O)C)C(C)COC(Nc3ncc4c(c3)cccc4)=O)=O)CCC5)=O)F)C
InChi:InChI=1S/C38H44FN5O8/c1-23-8-6-14-40-33(46)13-12-24(2)35(25(3)21-51-38(49)43-32-17-26-9-4-5-10-27(26)20-41-32)52-37(48)31-11-7-15-44(31)36(47)30-22-50-34(42-30)19-28(39)18-29(45)16-23/h4-6,8-10,12-13,16-17,20,22,24-25,28-29,31,35,45H,7,11,14-15,18-19,21H2,1-3H3,(H,40,46)(H,41,43,49)/b8-6+,13-12+,23-16+/t24-,25-,28-,29-,31-,35+/m1/s1
定義日:2019-06-17
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:(2R)-2-[(3S,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-4,12-dimethyl-1,7,22-trioxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate
O7Y
O7Y
表記:(2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate
組成式:C38 H43 N5 O9
SMILES:C2(=CC(O)CC(Cc1nc(co1)C(N5C(C(OC(C(C=CC(NCC=C2)=O)C)C(C)COC(Nc3ncc4c(c3)cccc4)=O)=O)CCC5)=O)=O)C
InChi:InChI=1S/C38H43N5O9/c1-23-8-6-14-39-33(46)13-12-24(2)35(25(3)21-51-38(49)42-32-17-26-9-4-5-10-27(26)20-40-32)52-37(48)31-11-7-15-43(31)36(47)30-22-50-34(41-30)19-29(45)18-28(44)16-23/h4-6,8-10,12-13,16-17,20,22,24-25,28,31,35,44H,7,11,14-15,18-19,21H2,1-3H3,(H,39,46)(H,40,42,49)/b8-6+,13-12+,23-16+/t24-,25-,28-,31-,35+/m1/s1
定義日:2019-06-17
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:(2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate
KLB
KLB
表記:5-(1~{H}-imidazol-5-yl)-4-phenyl-thiophene-2-carboximidamide
組成式:C14 H12 N4 S
SMILES:NC(=N)c1sc(c2[nH]cnc2)c(c1)c3ccccc3
InChi:InChI=1S/C14H12N4S/c15-14(16)12-6-10(9-4-2-1-3-5-9)13(19-12)11-7-17-8-18-11/h1-8H,(H3,15,16)(H,17,18)
定義日:2019-06-05
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:5-(1~{H}-imidazol-5-yl)-4-phenyl-thiophene-2-carboximidamide
O8D
O8D
表記:(3R,4R,5E,10E,12E,14S,26aR)-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-8,9,14,15,24,25,26,26a-octahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone
組成式:C30 H39 N3 O7
SMILES:C2(CC(Cc1nc(co1)C(N3C(C(OC(C(C)C)C(C=CC(=O)NCC=CC(=C2)C)C/C=C)=O)CCC3)=O)=O)O
InChi:InChI=1S/C30H39N3O7/c1-5-8-21-11-12-26(36)31-13-6-9-20(4)15-22(34)16-23(35)17-27-32-24(18-39-27)29(37)33-14-7-10-25(33)30(38)40-28(21)19(2)3/h5-6,9,11-12,15,18-19,21-22,25,28,34H,1,7-8,10,13-14,16-17H2,2-4H3,(H,31,36)/b9-6+,12-11+,20-15+/t21-,22-,25-,28-/m1/s1
定義日:2019-06-18
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:(3R,4R,5E,10E,12E,14S,26aR)-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-8,9,14,15,24,25,26,26a-octahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone
KLE
KLE
表記:5-phenylthiophene-2-carboximidamide
組成式:C11 H10 N2 S
SMILES:NC(=N)c1sc(cc1)c2ccccc2
InChi:InChI=1S/C11H10N2S/c12-11(13)10-7-6-9(14-10)8-4-2-1-3-5-8/h1-7H,(H3,12,13)
定義日:2019-06-05
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:5-phenylthiophene-2-carboximidamide
O8P
O8P
表記:(2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl (2-bromopyridin-4-yl)carbamate
組成式:C34 H40 Br N5 O9
SMILES:C3(CC(Cc1nc(co1)C(N4C(C(=O)OC(C(COC(Nc2cc(Br)ncc2)=O)C)C(C=CC(NCC=CC(=C3)C)=O)C)CCC4)=O)=O)O
InChi:InChI=1S/C34H40BrN5O9/c1-20-6-4-11-37-29(43)9-8-21(2)31(22(3)18-48-34(46)38-23-10-12-36-28(35)15-23)49-33(45)27-7-5-13-40(27)32(44)26-19-47-30(39-26)17-25(42)16-24(41)14-20/h4,6,8-10,12,14-15,19,21-22,24,27,31,41H,5,7,11,13,16-18H2,1-3H3,(H,37,43)(H,36,38,46)/b6-4+,9-8+,20-14+/t21-,22-,24-,27-,31+/m1/s1
定義日:2019-06-18
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:(2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl (2-bromopyridin-4-yl)carbamate
O8V
O8V
表記:(2S)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate
組成式:C38 H43 N5 O9
SMILES:C4(O)C=C(C=CCNC(C=CC(C)C(C(C)COC(=O)Nc1ncc2c(c1)cccc2)OC(C3CCCN3C(c5coc(CC(C4)=O)n5)=O)=O)=O)C
InChi:InChI=1S/C38H43N5O9/c1-23-8-6-14-39-33(46)13-12-24(2)35(25(3)21-51-38(49)42-32-17-26-9-4-5-10-27(26)20-40-32)52-37(48)31-11-7-15-43(31)36(47)30-22-50-34(41-30)19-29(45)18-28(44)16-23/h4-6,8-10,12-13,16-17,20,22,24-25,28,31,35,44H,7,11,14-15,18-19,21H2,1-3H3,(H,39,46)(H,40,42,49)/b8-6+,13-12+,23-16+/t24-,25+,28-,31-,35+/m1/s1
定義日:2019-06-18
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:(2S)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate
KLZ
KLZ
表記:4-chloranyl-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide
組成式:C10 H9 Cl N2 S2
SMILES:NC(=N)c1sc2cc(CS)cc(Cl)c2c1
InChi:InChI=1S/C10H9ClN2S2/c11-7-1-5(4-14)2-8-6(7)3-9(15-8)10(12)13/h1-3,14H,4H2,(H3,12,13)
定義日:2019-06-06
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:4-chloranyl-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide
KM2
KM2
表記:7-[[(2~{S})-1-azanylpropan-2-yl]amino]-1-benzothiophene-2-carboximidamide
組成式:C12 H16 N4 S
SMILES:C[CH](CN)Nc1cccc2cc(sc12)C(N)=N
InChi:InChI=1S/C12H16N4S/c1-7(6-13)16-9-4-2-3-8-5-10(12(14)15)17-11(8)9/h2-5,7,16H,6,13H2,1H3,(H3,14,15)/t7-/m0/s1
定義日:2019-06-07
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:7-[[(2~{S})-1-azanylpropan-2-yl]amino]-1-benzothiophene-2-carboximidamide
KM8
KM8
表記:~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]propanamide
組成式:C14 H15 N3 O S
SMILES:CCC(=O)Nc1cccc(c1)c2csc(c2)C(N)=N
InChi:InChI=1S/C14H15N3OS/c1-2-13(18)17-11-5-3-4-9(6-11)10-7-12(14(15)16)19-8-10/h3-8H,2H2,1H3,(H3,15,16)(H,17,18)
定義日:2019-06-07
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]propanamide
LF5
LF5
表記:4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide
組成式:C12 H13 Cl N2 O S
SMILES:CC(C)Oc1ccc(Cl)c2cc(sc12)C(N)=N
InChi:InChI=1S/C12H13ClN2OS/c1-6(2)16-9-4-3-8(13)7-5-10(12(14)15)17-11(7)9/h3-6H,1-2H3,(H3,14,15)
定義日:2019-08-10
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide
LFB
LFB
表記:7-methoxy-1-benzothiophene-2-carboximidamide
組成式:C10 H10 N2 O S
SMILES:COc1cccc2cc(sc12)C(N)=N
InChi:InChI=1S/C10H10N2OS/c1-13-7-4-2-3-6-5-8(10(11)12)14-9(6)7/h2-5H,1H3,(H3,11,12)
定義日:2019-08-12
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:7-methoxy-1-benzothiophene-2-carboximidamide
LFQ
LFQ
表記:5-methyl-4-phenyl-thiophene-2-carboximidamide
組成式:C12 H12 N2 S
SMILES:Cc1sc(cc1c2ccccc2)C(N)=N
InChi:InChI=1S/C12H12N2S/c1-8-10(7-11(15-8)12(13)14)9-5-3-2-4-6-9/h2-7H,1H3,(H3,13,14)
定義日:2019-08-13
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:5-methyl-4-phenyl-thiophene-2-carboximidamide
R6T
R6T
表記:9-oxo-9H-fluorene-4-carboxamide
組成式:C14 H9 N O2
SMILES:O=C(c2cccc3C(=O)c1ccccc1c23)N
InChi:InChI=1S/C14H9NO2/c15-14(17)11-7-3-6-10-12(11)8-4-1-2-5-9(8)13(10)16/h1-7H,(H2,15,17)
定義日:2019-10-25
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:9-oxo-9H-fluorene-4-carboxamide
R7T
R7T
表記:4-[(thiophen-2-yl)methyl]benzoic acid
組成式:C12 H10 O2 S
SMILES:OC(=O)c1ccc(cc1)Cc2cccs2
InChi:InChI=1S/C12H10O2S/c13-12(14)10-5-3-9(4-6-10)8-11-2-1-7-15-11/h1-7H,8H2,(H,13,14)
定義日:2019-10-25
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:4-[(thiophen-2-yl)methyl]benzoic acid
LJW
LJW
表記:4-(methylamino)-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide
組成式:C13 H17 N3 O S
SMILES:CNc1ccc(OC(C)C)c2sc(cc12)C(N)=N
InChi:InChI=1S/C13H17N3OS/c1-7(2)17-10-5-4-9(16-3)8-6-11(13(14)15)18-12(8)10/h4-7,16H,1-3H3,(H3,14,15)
定義日:2019-08-20
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:4-(methylamino)-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide
KTW
KTW
表記:4-chloranyl-1-benzothiophene-2-carboximidamide
組成式:C9 H7 Cl N2 S
SMILES:NC(=N)c1sc2cccc(Cl)c2c1
InChi:InChI=1S/C9H7ClN2S/c10-6-2-1-3-7-5(6)4-8(13-7)9(11)12/h1-4H,(H3,11,12)
定義日:2019-06-26
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:4-chloranyl-1-benzothiophene-2-carboximidamide
OGE
OGE
表記:1-(5-bromanylpyridin-2-yl)-3-(2-hydroxyethyl)urea
組成式:C8 H10 Br N3 O2
SMILES:OCCNC(=O)Nc1ccc(Br)cn1
InChi:InChI=1S/C8H10BrN3O2/c9-6-1-2-7(11-5-6)12-8(14)10-3-4-13/h1-2,5,13H,3-4H2,(H2,10,11,12,14)
定義日:2020-03-05
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:1-(5-bromanylpyridin-2-yl)-3-(2-hydroxyethyl)urea
OWG
OWG
表記:3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydrophthalazin-2(1H)-yl]propan-1-one
組成式:C33 H38 N6 O6
SMILES:c5(c(CCC(N1C(c2c(CN1)cc(OC)c(OC)c2)c3ccc(cc3)OC)=O)cc(Cc4c(nc(N)nc4)N)cc5OC)OC
InChi:InChI=1S/C33H38N6O6/c1-41-24-9-6-20(7-10-24)30-25-16-27(43-3)26(42-2)15-22(25)18-37-39(30)29(40)11-8-21-12-19(14-28(44-4)31(21)45-5)13-23-17-36-33(35)38-32(23)34/h6-7,9-10,12,14-17,30,37H,8,11,13,18H2,1-5H3,(H4,34,35,36,38)/t30-/m0/s1
定義日:2019-07-12
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydrophthalazin-2(1H)-yl]propan-1-one
OWJ
OWJ
表記:(2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(3,5-dimethylphenyl)phthalazin-2(1H)-yl]prop-2-en-1-one
組成式:C32 H32 N6 O3
SMILES:COc4cc(cc([C@H]=[C@H]C(N1C(c2c(C=N1)cccc2)c3cc(cc(c3)C)C)=O)c4OC)Cc5cnc(N)nc5N
InChi:InChI=1S/C32H32N6O3/c1-19-11-20(2)13-24(12-19)29-26-8-6-5-7-23(26)18-36-38(29)28(39)10-9-22-14-21(16-27(40-3)30(22)41-4)15-25-17-35-32(34)37-31(25)33/h5-14,16-18,29H,15H2,1-4H3,(H4,33,34,35,37)/b10-9+/t29-/m0/s1
定義日:2019-07-12
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:(2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(3,5-dimethylphenyl)phthalazin-2(1H)-yl]prop-2-en-1-one

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件を2024-07-31に公開中

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