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99A
99A
表記:N-{(3-endo)-8-[5-(benzylcarbamoyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2,5-dimethylbenzene-1,4-dicarboxamide
組成式:C30 H33 N5 O3
SMILES:O=C(N)c1c(cc(c(c1)C)C(=O)NC5CC4N(c3ncc(C(=O)NCc2ccccc2)cc3)C(CC4)C5)C
InChi:InChI=1S/C30H33N5O3/c1-18-13-26(19(2)12-25(18)28(31)36)30(38)34-22-14-23-9-10-24(15-22)35(23)27-11-8-21(17-32-27)29(37)33-16-20-6-4-3-5-7-20/h3-8,11-13,17,22-24H,9-10,14-16H2,1-2H3,(H2,31,36)(H,33,37)(H,34,38)/t22-,23+,24-
定義日:2012-06-05
最終更新日:2014-09-05
公開日:2012-08-24
識別子（ID）:N-{(3-endo)-8-[5-(benzylcarbamoyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2,5-dimethylbenzene-1,4-dicarboxamide
9F4
9F4
表記:(1R,2R,3R)-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide
組成式:C20 H16 F N3 O2
SMILES:O=C(NO)C4C(c1ccccc1)C4c3ccc(c2ncc(F)cn2)cc3
InChi:InChI=1S/C20H16FN3O2/c21-15-10-22-19(23-11-15)14-8-6-13(7-9-14)17-16(18(17)20(25)24-26)12-4-2-1-3-5-12/h1-11,16-18,26H,(H,24,25)/t16-,17-,18-/m1/s1
定義日:2013-10-16
最終更新日:2014-09-05
公開日:2013-12-11
識別子（ID）:(1R,2R,3R)-2-[4-(5-fluoropyrimidin-2-yl)phenyl]-N-hydroxy-3-phenylcyclopropanecarboxamide
9FK
9FK
表記:5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide
組成式:C16 H12 N4 O2 S2
SMILES:O=S(=O)(c4sc(c3nnn(c2c1ccccc1ccc2)c3)cc4)N
InChi:InChI=1S/C16H12N4O2S2/c17-24(21,22)16-9-8-15(23-16)13-10-20(19-18-13)14-7-3-5-11-4-1-2-6-12(11)14/h1-10H,(H2,17,21,22)
定義日:2013-03-13
最終更新日:2014-09-05
公開日:2014-01-22
識別子（ID）:5-[1-(naphthalen-1-yl)-1H-1,2,3-triazol-4-yl]thiophene-2-sulfonamide
E41
E41
表記:N-hydroxy-N^2^-(3-methylbutyl)-N^2^-(naphthalen-2-ylsulfonyl)-D-valinamide
組成式:C20 H28 N2 O4 S
SMILES:O=C(NO)C(N(CCC(C)C)S(=O)(=O)c2ccc1c(cccc1)c2)C(C)C
InChi:InChI=1S/C20H28N2O4S/c1-14(2)11-12-22(19(15(3)4)20(23)21-24)27(25,26)18-10-9-16-7-5-6-8-17(16)13-18/h5-10,13-15,19,24H,11-12H2,1-4H3,(H,21,23)/t19-/m1/s1
定義日:2011-08-10
最終更新日:2014-09-05
識別子（ID）:N-hydroxy-N~2~-(3-methylbutyl)-N~2~-(naphthalen-2-ylsulfonyl)-D-valinamide
E46
E46
表記:N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethyloxy)phenyl]-[1,2,3]triazolo[4,5-b]pyridin-5-amine
組成式:C18 H19 F3 N6 O
SMILES:FC(F)(F)Oc1cccc(c1)n3nnc2ccc(nc23)NCC4CCNCC4
InChi:InChI=1S/C18H19F3N6O/c19-18(20,21)28-14-3-1-2-13(10-14)27-17-15(25-26-27)4-5-16(24-17)23-11-12-6-8-22-9-7-12/h1-5,10,12,22H,6-9,11H2,(H,23,24)
定義日:2011-11-12
最終更新日:2014-09-05
識別子（ID）:N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
E4F
E4F
表記:5-[[(1R,2S)-2-(5-azanylpentanoylamino)-2,3-dihydro-1H-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid
組成式:C23 H26 N2 O5
SMILES:O=C(NC2Cc1ccccc1C2Cc3ccc4OCOc4c3C(=O)O)CCCCN
InChi:InChI=1S/C23H26N2O5/c24-10-4-3-7-20(26)25-18-12-14-5-1-2-6-16(14)17(18)11-15-8-9-19-22(30-13-29-19)21(15)23(27)28/h1-2,5-6,8-9,17-18H,3-4,7,10-13,24H2,(H,25,26)(H,27,28)/t17-,18+/m1/s1
定義日:2013-12-19
最終更新日:2014-09-05
公開日:2014-01-08
識別子（ID）:5-({(1R,2S)-2-[(5-aminopentanoyl)amino]-2,3-dihydro-1H-inden-1-yl}methyl)-1,3-benzodioxole-4-carboxylic acid
6XE
6XE
表記:6-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline
組成式:C20 H13 F N6
SMILES:Fc5ccc(c1nn2c(nnc2nc1)Cc4cc3cccnc3cc4)cc5
InChi:InChI=1S/C20H13FN6/c21-16-6-4-14(5-7-16)18-12-23-20-25-24-19(27(20)26-18)11-13-3-8-17-15(10-13)2-1-9-22-17/h1-10,12H,11H2
定義日:2012-11-13
最終更新日:2014-09-05
公開日:2013-11-27
識別子（ID）:6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl}quinoline
6YT
6YT
表記:N-(3-hydroxypicolinoyl)-S-(pyridin-2-ylmethyl)-L-cysteine
組成式:C15 H15 N3 O4 S
SMILES:O=C(c1ncccc1O)NC(C(=O)O)CSCc2ncccc2
InChi:InChI=1S/C15H15N3O4S/c19-12-5-3-7-17-13(12)14(20)18-11(15(21)22)9-23-8-10-4-1-2-6-16-10/h1-7,11,19H,8-9H2,(H,18,20)(H,21,22)/t11-/m0/s1
定義日:2013-10-01
最終更新日:2014-09-05
公開日:2014-05-14
識別子（ID）:N-[(3-hydroxypyridin-2-yl)carbonyl]-S-(pyridin-2-ylmethyl)-L-cysteine
73B
73B
表記:4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid
組成式:C25 H23 Cl N2 O3
SMILES:O=C(O)c4ccc(c1ccc3c(c1)C(Nc2ccc(Cl)cc2)CC(N3C(=O)C)C)cc4
InChi:InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1
定義日:2013-04-22
最終更新日:2014-09-05
公開日:2013-10-02
識別子（ID）:4-{(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl}benzoic acid
EF2
EF2
表記:S-Thalidomide
組成式:C13 H10 N2 O4
SMILES:O=C1NC(=O)CCC1N3C(=O)c2ccccc2C3=O
InChi:InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)/t9-/m0/s1
定義日:2013-12-05
最終更新日:2014-09-05
公開日:2014-07-16
識別子（ID）:2-[(3S)-2,6-dioxopiperidin-3-yl]-1H-isoindole-1,3(2H)-dione
EM7
EM7
表記:3-AMINO-N-METHYL-6-[3-(1H-TETRAZOL-5-YL)PHENYL]PYRAZINE-2-CARBOXAMIDE
組成式:C13 H12 N8 O
SMILES:O=C(NC)c3nc(c1cccc(c1)c2nnnn2)cnc3N
InChi:InChI=1S/C13H12N8O/c1-15-13(22)10-11(14)16-6-9(17-10)7-3-2-4-8(5-7)12-18-20-21-19-12/h2-6H,1H3,(H2,14,16)(H,15,22)(H,18,19,20,21)
定義日:2012-03-22
最終更新日:2014-09-05
識別子（ID）:3-amino-N-methyl-6-[3-(1H-tetrazol-5-yl)phenyl]pyrazine-2-carboxamide
04N
04N
表記:2-amino-2-deoxy-4,6-O-(phenylmethylidene)-alpha-D-glucopyranose
組成式:C13 H17 N O5
SMILES:O1C(O)C(N)C(O)C2OC(OCC12)c3ccccc3
InChi:InChI=1S/C13H17NO5/c14-9-10(15)11-8(18-12(9)16)6-17-13(19-11)7-4-2-1-3-5-7/h1-5,8-13,15-16H,6,14H2/t8-,9-,10-,11-,12+,13-/m1/s1
定義日:2012-07-26
最終更新日:2014-09-05
公開日:2013-08-07
識別子（ID）:2-amino-4,6-O-benzylidene-2-deoxy-alpha-D-glucopyranose
04O
04O
表記:2-amino-2-deoxy-4,6-O-[(1R)-3-phenylpropylidene]-alpha-D-glucopyranose
組成式:C15 H21 N O5
SMILES:O1C(O)C(N)C(O)C2OC(OCC12)CCc3ccccc3
InChi:InChI=1S/C15H21NO5/c16-12-13(17)14-10(20-15(12)18)8-19-11(21-14)7-6-9-4-2-1-3-5-9/h1-5,10-15,17-18H,6-8,16H2/t10-,11-,12-,13-,14-,15+/m1/s1
定義日:2012-07-26
最終更新日:2014-09-05
公開日:2013-08-07
識別子（ID）:2-amino-2-deoxy-4,6-O-[(1R)-3-phenylpropylidene]-alpha-D-glucopyranose
056
056
表記:3-[(2,4-DICHLOROPHENYL)METHYLSULFANYLMETHYL]BENZOIC ACID
組成式:C15 H12 Cl2 O2 S
SMILES:Clc1cc(Cl)ccc1CSCc2cccc(C(=O)O)c2
InChi:InChI=1S/C15H12Cl2O2S/c16-13-5-4-12(14(17)7-13)9-20-8-10-2-1-3-11(6-10)15(18)19/h1-7H,8-9H2,(H,18,19)
定義日:2011-06-04
最終更新日:2014-09-05
識別子（ID）:3-{[(2,4-dichlorobenzyl)sulfanyl]methyl}benzoic acid
05R
05R
表記:2-(3,4-dichlorophenyl)ethanoic acid
組成式:C8 H6 Cl2 O2
SMILES:Clc1ccc(cc1Cl)CC(=O)O
InChi:InChI=1S/C8H6Cl2O2/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3H,4H2,(H,11,12)
定義日:2012-10-26
最終更新日:2014-09-05
公開日:2013-03-27
識別子（ID）:(3,4-dichlorophenyl)acetic acid
08C
08C
表記:2-(4-methoxyphenyl)-3,4-dihydroquinazolin-4-one
組成式:C15 H12 N2 O2
SMILES:O=C2c3ccccc3N=C(c1ccc(OC)cc1)N2
InChi:InChI=1S/C15H12N2O2/c1-19-11-8-6-10(7-9-11)14-16-13-5-3-2-4-12(13)15(18)17-14/h2-9H,1H3,(H,16,17,18)
定義日:2013-06-20
最終更新日:2014-09-05
公開日:2013-10-30
識別子（ID）:2-(4-methoxyphenyl)quinazolin-4(3H)-one
0BT
0BT
表記:1-{2-deoxy-3,5-O-[(4-iodophenyl)(phosphono)methylidene]-beta-D-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione
組成式:C17 H18 I N2 O8 P
SMILES:O=C1C(=CN(C(=O)N1)C4OC2C(OC(OC2)(c3ccc(I)cc3)P(=O)(O)O)C4)C
InChi:InChI=1S/C17H18IN2O8P/c1-9-7-20(16(22)19-15(9)21)14-6-12-13(27-14)8-26-17(28-12,29(23,24)25)10-2-4-11(18)5-3-10/h2-5,7,12-14H,6,8H2,1H3,(H,19,21,22)(H2,23,24,25)/t12-,13-,14-,17-/m1/s1
定義日:2011-11-21
最終更新日:2014-09-05
公開日:2014-09-10
識別子（ID）:1-{2-deoxy-3,5-O-[(4-iodophenyl)(phosphono)methylidene]-beta-D-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione
D51
D51
表記:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(1R,3S,3aS,7aS)-1-amino-1,10,11-trimethyl-4,6-dioxo-3-phenyl-2,3,5,6,7,7a-hexahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate
組成式:C37 H48 N10 O15 P2
SMILES:O=C4NC(=O)NC5N(c1cc(c(cc1N3C(N)(C)CC(c2ccccc2)C345)C)C)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC8OC(n7cnc6c(ncnc67)N)C(O)C8O
InChi:InChI=1S/C37H48N10O15P2/c1-17-9-21-22(10-18(17)2)47-36(3,39)11-20(19-7-5-4-6-8-19)37(47)33(43-35(54)44-34(37)53)45(21)12-23(48)27(50)24(49)13-59-63(55,56)62-64(57,58)60-14-25-28(51)29(52)32(61-25)46-16-42-26-30(38)40-15-41-31(26)46/h4-10,15-16,20,23-25,27-29,32-33,48-52H,11-14,39H2,1-3H3,(H,55,56)(H,57,58)(H2,38,40,41)(H2,43,44,53,54)/t20-,23-,24+,25+,27-,28+,29+,32+,33-,36+,37-/m0/s1
定義日:2014-08-05
最終更新日:2014-09-05
公開日:2014-09-10
識別子（ID）:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(1R,3S,3aS,7aS)-1-amino-1,10,11-trimethyl-4,6-dioxo-3-phenyl-2,3,5,6,7,7a-hexahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)
D52
D52
表記:[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4S)-5-[5-[(1S)-1-azanyl-1,3-diphenyl-propyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-4aH-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate
組成式:C42 H50 N10 O15 P2
SMILES:O=C4NC(=O)N=C5N(c1cc(c(cc1N(C(c2ccccc2)(N)CCc3ccccc3)C45)C)C)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC8OC(n7cnc6c(ncnc67)N)C(O)C8O
InChi:InChI=1S/C42H50N10O15P2/c1-22-15-26-27(16-23(22)2)52(42(44,25-11-7-4-8-12-25)14-13-24-9-5-3-6-10-24)32-38(48-41(59)49-39(32)58)50(26)17-28(53)33(55)29(54)18-64-68(60,61)67-69(62,63)65-19-30-34(56)35(57)40(66-30)51-21-47-31-36(43)45-20-46-37(31)51/h3-12,15-16,20-21,28-30,32-35,40,53-57H,13-14,17-19,44H2,1-2H3,(H,60,61)(H,62,63)(H2,43,45,46)(H,49,58,59)/t28-,29+,30+,32-,33-,34+,35+,40+,42-/m0/s1
定義日:2014-08-05
最終更新日:2014-09-05
公開日:2014-09-10
識別子（ID）:(2R,3S,4S)-5-[(4aS)-5-[(1S)-1-amino-1,3-diphenylpropyl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
D69
D69
表記:[[(2R,3S,4S)-5-[(4aS,10aS)-4a-[(1S)-3-azanylidene-1,4-diphenyl-butyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-5,10a-dihydro-1H-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentoxy]-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
組成式:C43 H52 N10 O15 P2
SMILES:O=C2NC(=O)NC5N(c1cc(c(cc1NC25C(c3ccccc3)CC(=[N@H])Cc4ccccc4)C)C)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC8OC(n7cnc6c(ncnc67)N)C(O)C8O
InChi:InChI=1S/C43H52N10O15P2/c1-22-13-28-29(14-23(22)2)52(40-43(51-28,41(59)50-42(60)49-40)27(25-11-7-4-8-12-25)16-26(44)15-24-9-5-3-6-10-24)17-30(54)34(56)31(55)18-65-69(61,62)68-70(63,64)66-19-32-35(57)36(58)39(67-32)53-21-48-33-37(45)46-20-47-38(33)53/h3-14,20-21,27,30-32,34-36,39-40,44,51,54-58H,15-19H2,1-2H3,(H,61,62)(H,63,64)(H2,45,46,47)(H2,49,50,59,60)/b44-26+/t27-,30-,31+,32+,34-,35+,36+,39+,40-,43-/m0/s1
定義日:2014-08-05
最終更新日:2014-09-05
公開日:2014-09-10
識別子（ID）:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(4aS,10aS)-4a-[(1S,3Z)-3-imino-1,4-diphenylbutyl]-7,8-dimethyl-2,4-dioxo-1,3,4,4a,5,10a-hexahydrobenzo[g]pteridin-10(2H)-yl]pentyl dihydrogen diphosphate (non-preferred name)
D70
D70
表記:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(4aS,10aS)-4a-[(1S,3E)-3-imino-1-phenylpentyl]-7,8-dimethyl-2,4-dioxo-1,3,4,4a,5,10a-hexahydrobenzo[g]pteridin-10(2H)-yl]pentyl dihydrogen diphosphate
組成式:C38 H50 N10 O15 P2
SMILES:O=C2NC(=O)NC4N(c1cc(c(cc1NC24C(c3ccccc3)CC(=[N@H])CC)C)C)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC7OC(n6cnc5c(ncnc56)N)C(O)C7O
InChi:InChI=1S/C38H50N10O15P2/c1-4-21(39)12-22(20-8-6-5-7-9-20)38-35(44-37(55)45-36(38)54)47(24-11-19(3)18(2)10-23(24)46-38)13-25(49)29(51)26(50)14-60-64(56,57)63-65(58,59)61-15-27-30(52)31(53)34(62-27)48-17-43-28-32(40)41-16-42-33(28)48/h5-11,16-17,22,25-27,29-31,34-35,39,46,49-53H,4,12-15H2,1-3H3,(H,56,57)(H,58,59)(H2,40,41,42)(H2,44,45,54,55)/b39-21+/t22-,25-,26+,27+,29-,30+,31+,34+,35-,38-/m0/s1
定義日:2014-08-05
最終更新日:2014-09-05
公開日:2014-09-10
識別子（ID）:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(4aS,10aS)-4a-[(1S,3E)-3-imino-1-phenylpentyl]-7,8-dimethyl-2,4-dioxo-1,3,4,4a,5,10a-hexahydrobenzo[g]pteridin-10(2H)-yl]pentyl dihydrogen diphosphate (non-preferred name)
D73
D73
表記:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(4aS)-4a-[(1S,3E)-3-imino-1-phenylbutyl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]pentyl dihydrogen diphosphate
組成式:C37 H46 N10 O15 P2
SMILES:O=C2NC(=O)N=C3N(c1cc(c(cc1NC23C(c4ccccc4)CC(=[N@H])C)C)C)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC7OC(n6cnc5c(ncnc56)N)C(O)C7O
InChi:InChI=1S/C37H46N10O15P2/c1-17-9-22-23(10-18(17)2)46(34-37(45-22,35(53)44-36(54)43-34)21(11-19(3)38)20-7-5-4-6-8-20)12-24(48)28(50)25(49)13-59-63(55,56)62-64(57,58)60-14-26-29(51)30(52)33(61-26)47-16-42-27-31(39)40-15-41-32(27)47/h4-10,15-16,21,24-26,28-30,33,38,45,48-52H,11-14H2,1-3H3,(H,55,56)(H,57,58)(H2,39,40,41)(H,44,53,54)/b38-19+/t21-,24-,25+,26+,28-,29+,30+,33+,37-/m0/s1
定義日:2014-08-05
最終更新日:2014-09-05
公開日:2014-09-10
識別子（ID）:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(4aS)-4a-[(1S,3E)-3-imino-1-phenylbutyl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]pentyl dihydrogen diphosphate (non-preferred name)
D98
D98
表記:2-(4'-CARBAMIMIDOYL-2'-HYDROXYBIPHENYL-4-YL)-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE
組成式:C21 H18 N6 O
SMILES:n2c1cc(ccc1nc2c4ccc(c3ccc(C(=[N@H])N)cc3O)cc4)C(=[N@H])N
InChi:InChI=1S/C21H18N6O/c22-19(23)13-6-8-16-17(9-13)27-21(26-16)12-3-1-11(2-4-12)15-7-5-14(20(24)25)10-18(15)28/h1-10,28H,(H3,22,23)(H3,24,25)(H,26,27)
定義日:2012-02-02
最終更新日:2014-09-05
公開日:2013-01-11
識別子（ID）:2-(4'-carbamimidoyl-2'-hydroxybiphenyl-4-yl)-1H-benzimidazole-5-carboximidamide
DCW
DCW
表記:DICYCLOHEXYLUREA
組成式:C13 H24 N2 O
SMILES:O=C(NC1CCCCC1)NC2CCCCC2
InChi:InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)
定義日:2000-08-25
最終更新日:2014-09-05
識別子（ID）:1,3-dicyclohexylurea
AQ2
AQ2
表記:N-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-4-[2-(1-methylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide
組成式:C21 H25 N3 O4 S2
SMILES:O=S4(=O)CCC(NS(=O)(=O)c3ccc(c2ccnc1nc(cc12)C(C)C)cc3)CC4
InChi:InChI=1S/C21H25N3O4S2/c1-14(2)20-13-19-18(7-10-22-21(19)23-20)15-3-5-17(6-4-15)30(27,28)24-16-8-11-29(25,26)12-9-16/h3-7,10,13-14,16,24H,8-9,11-12H2,1-2H3,(H,22,23)
定義日:2012-06-03
最終更新日:2014-09-05
公開日:2013-05-01
識別子（ID）:N-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-4-[2-(propan-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide

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