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BHJ
BHJ
表記:{(3S)-7-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]-1,2,3,4-tetrahydroisoquinolin-3-yl}(piperidin-1-yl)methanone
組成式:C37 H45 Cl N6 O4 S
SMILES:C7N(CCCn5c6c(c(c1ccc(c(c1)C#Cc2ccc3c(c2)CNC(C3)C(N4CCCCC4)=O)Cl)n5)CN(CC6)S(C)(=O)=O)CCOC7
InChi:InChI=1S/C37H45ClN6O4S/c1-49(46,47)43-17-12-35-32(26-43)36(40-44(35)16-5-13-41-18-20-48-21-19-41)30-10-11-33(38)29(23-30)9-7-27-6-8-28-24-34(39-25-31(28)22-27)37(45)42-14-3-2-4-15-42/h6,8,10-11,22-23,34,39H,2-5,12-21,24-26H2,1H3/t34-/m0/s1
定義日:2017-08-08
最終更新日:2017-12-15
公開日:2017-12-20
識別子（ID）:{(3S)-7-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]-1,2,3,4-tetrahydroisoquinolin-3-yl}(piperidin-1-yl)methanone
BHV
BHV
表記:tert-butyl 4-(2-{3-[3-{[(3-methylbut-2-enoyl)amino]methyl}-4-(trifluoromethyl)phenyl]-1-[3-(morpholin-4-yl)propyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)piperidine-1-carboxylate
組成式:C38 H53 F3 N6 O5
SMILES:C(NC(C=C(/C)C)=O)c1cc(ccc1C(F)(F)F)c3c4c(n(CCCN2CCOCC2)n3)CCN(C4)C(=O)CC5CCN(CC5)C(OC(C)(C)C)=O
InChi:InChI=1S/C38H53F3N6O5/c1-26(2)21-33(48)42-24-29-23-28(7-8-31(29)38(39,40)41)35-30-25-46(16-11-32(30)47(43-35)13-6-12-44-17-19-51-20-18-44)34(49)22-27-9-14-45(15-10-27)36(50)52-37(3,4)5/h7-8,21,23,27H,6,9-20,22,24-25H2,1-5H3,(H,42,48)
定義日:2017-08-08
最終更新日:2017-12-15
公開日:2017-12-20
識別子（ID）:tert-butyl 4-(2-{3-[3-{[(3-methylbut-2-enoyl)amino]methyl}-4-(trifluoromethyl)phenyl]-1-[3-(morpholin-4-yl)propyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)piperidine-1-carboxylate
BJ2
BJ2
表記:(2~{S})-1-[(2~{S})-2-[[(1~{S})-1-[(2~{S})-1-[(2~{S})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
組成式:C18 H28 N4 O8
SMILES:C[CH](N[CH]([CH]1CCCN1C(=O)[CH](N)CC(O)=O)C(O)=O)C(=O)N2CCC[CH]2C(O)=O
InChi:InChI=1S/C18H28N4O8/c1-9(15(25)22-7-3-5-12(22)17(27)28)20-14(18(29)30)11-4-2-6-21(11)16(26)10(19)8-13(23)24/h9-12,14,20H,2-8,19H2,1H3,(H,23,24)(H,27,28)(H,29,30)/t9-,10-,11-,12-,14-/m0/s1
定義日:2017-10-05
最終更新日:2017-12-15
公開日:2017-12-20
識別子（ID）:(2~{S})-1-[(2~{S})-2-[[(1~{S})-1-[(2~{S})-1-[(2~{S})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
A9Q
A9Q
表記:3-(2,5-Dimethoxybenzyl)-7-sulfamoyloxy-6-methoxy-3,4-dihydroquinazolin-2(1H)-one
組成式:C18 H21 N3 O7 S
SMILES:COc1ccc(OC)c(CN2Cc3cc(OC)c(O[S](N)(=O)=O)cc3NC2=O)c1
InChi:InChI=1S/C18H21N3O7S/c1-25-13-4-5-15(26-2)12(6-13)10-21-9-11-7-16(27-3)17(28-29(19,23)24)8-14(11)20-18(21)22/h4-8H,9-10H2,1-3H3,(H,20,22)(H2,19,23,24)
定義日:2017-08-18
最終更新日:2017-12-15
公開日:2017-12-20
識別子（ID）:[3-[(2,5-dimethoxyphenyl)methyl]-6-methoxy-2-oxidanylidene-1,4-dihydroquinazolin-7-yl] sulfamate
BYN
BYN
表記:hydroxylated prenyl-FMN
組成式:C22 H31 N4 O10 P
SMILES:Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C3=C(N4[CH](O)CC(C)(C)c(c1C)c24)C(=O)NC(=N3)O
InChi:InChI=1S/C22H31N4O10P/c1-9-5-11-16-15(10(9)2)22(3,4)6-14(29)26(16)17-19(23-21(32)24-20(17)31)25(11)7-12(27)18(30)13(28)8-36-37(33,34)35/h5,12-14,18,27-30H,6-8H2,1-4H3,(H2,33,34,35)(H2,23,24,31,32)/t12-,13+,14+,18-/m0/s1
定義日:2017-11-01
最終更新日:2017-12-15
公開日:2017-12-20
識別子（ID）:[(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-[(16~{R})-11,12,14,14-tetramethyl-5,16-bis(oxidanyl)-3-oxidanylidene-1,4,6,8-tetrazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-2(7),5,9,11,13(17)-pentaen-8-yl]pentyl] dihydrogen phosphate
C5W
C5W
表記:2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-2~{H}-indazol-6-yl]pyridine-3-carboxylic acid
組成式:C25 H28 N6 O4
SMILES:COc1ncc(cc1C(O)=O)c2cc3n[nH]cc3c(c2)c4oc(CN5CCN(CC5)C(C)C)cn4
InChi:InChI=1S/C25H28N6O4/c1-15(2)31-6-4-30(5-7-31)14-18-12-27-24(35-18)19-8-16(10-22-21(19)13-28-29-22)17-9-20(25(32)33)23(34-3)26-11-17/h8-13,15H,4-7,14H2,1-3H3,(H,28,29)(H,32,33)
定義日:2017-11-14
最終更新日:2017-12-15
公開日:2017-12-20
識別子（ID）:2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-2~{H}-indazol-6-yl]pyridine-3-carboxylic acid
I0D
I0D
表記:4-chloranyl-2-methyl-5-[(2-methyl-3,4-dihydro-1~{H}-isoquinolin-5-yl)amino]pyridazin-3-one
組成式:C15 H17 Cl N4 O
SMILES:CN1CCc2c(C1)cccc2NC3=C(Cl)C(=O)N(C)N=C3
InChi:InChI=1S/C15H17ClN4O/c1-19-7-6-11-10(9-19)4-3-5-12(11)18-13-8-17-20(2)15(21)14(13)16/h3-5,8,18H,6-7,9H2,1-2H3
定義日:2016-12-06
最終更新日:2017-12-15
公開日:2017-12-20
識別子（ID）:4-chloranyl-2-methyl-5-[(2-methyl-3,4-dihydro-1~{H}-isoquinolin-5-yl)amino]pyridazin-3-one
BJD
BJD
表記:N-benzyl-1-{2-chloro-5-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}methanamine
組成式:C36 H39 Cl2 N5 O3 S
SMILES:Clc1c(cc(cc1)C#Cc2c(ccc(c2)c4c3CN(S(=O)(=O)C)CCc3n(n4)CCCN5CCOCC5)Cl)CNCc6ccccc6
InChi:InChI=1S/C36H39Cl2N5O3S/c1-47(44,45)42-17-14-35-32(26-42)36(40-43(35)16-5-15-41-18-20-46-21-19-41)30-11-13-33(37)29(23-30)10-8-27-9-12-34(38)31(22-27)25-39-24-28-6-3-2-4-7-28/h2-4,6-7,9,11-13,22-23,39H,5,14-21,24-26H2,1H3
定義日:2017-08-08
最終更新日:2017-12-15
公開日:2017-12-20
識別子（ID）:N-benzyl-1-{2-chloro-5-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}methanamine
BJJ
BJJ
表記:N-benzyl-1-{2-chloro-5-[2-(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethyl]phenyl}methanamine
組成式:C36 H43 Cl2 N5 O3 S
SMILES:c12CN(CCc1n(nc2c3ccc(Cl)c(c3)CCc4ccc(c(c4)CNCc5ccccc5)Cl)CCCN6CCOCC6)S(C)(=O)=O
InChi:InChI=1S/C36H43Cl2N5O3S/c1-47(44,45)42-17-14-35-32(26-42)36(40-43(35)16-5-15-41-18-20-46-21-19-41)30-11-13-33(37)29(23-30)10-8-27-9-12-34(38)31(22-27)25-39-24-28-6-3-2-4-7-28/h2-4,6-7,9,11-13,22-23,39H,5,8,10,14-21,24-26H2,1H3
定義日:2017-08-08
最終更新日:2017-12-15
公開日:2017-12-20
識別子（ID）:N-benzyl-1-{2-chloro-5-[2-(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethyl]phenyl}methanamine
BJS
BJS
表記:2-(3-[3-({3-[(benzylamino)methyl]-4-chlorophenyl}ethynyl)-4-chlorophenyl]-1-{3-[(3S)-3-methylmorpholin-4-yl]propyl}-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-2-oxoacetamide
組成式:C38 H40 Cl2 N6 O3
SMILES:C(CCn2c1c(CN(C(C(=O)N)=O)CC1)c(n2)c3cc(c(cc3)Cl)C#Cc4ccc(c(c4)CNCc5ccccc5)Cl)N6CCOCC6C
InChi:InChI=1S/C38H40Cl2N6O3/c1-26-25-49-19-18-44(26)15-5-16-46-35-14-17-45(38(48)37(41)47)24-32(35)36(43-46)30-11-13-33(39)29(21-30)10-8-27-9-12-34(40)31(20-27)23-42-22-28-6-3-2-4-7-28/h2-4,6-7,9,11-13,20-21,26,42H,5,14-19,22-25H2,1H3,(H2,41,47)/t26-/m0/s1
定義日:2017-08-08
最終更新日:2017-12-15
公開日:2017-12-20
識別子（ID）:2-(3-[3-({3-[(benzylamino)methyl]-4-chlorophenyl}ethynyl)-4-chlorophenyl]-1-{3-[(3S)-3-methylmorpholin-4-yl]propyl}-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-2-oxoacetamide
BJV
BJV
表記:N-benzyl-1-{5-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]-2-methoxyphenyl}methanamine
組成式:C37 H42 Cl N5 O4 S
SMILES:C1CN(CCO1)CCCn5c6c(c(c2ccc(c(c2)C#Cc3ccc(c(c3)CNCc4ccccc4)OC)Cl)n5)CN(CC6)S(C)(=O)=O
InChi:InChI=1S/C37H42ClN5O4S/c1-46-36-14-10-28(23-32(36)26-39-25-29-7-4-3-5-8-29)9-11-30-24-31(12-13-34(30)38)37-33-27-42(48(2,44)45)18-15-35(33)43(40-37)17-6-16-41-19-21-47-22-20-41/h3-5,7-8,10,12-14,23-24,39H,6,15-22,25-27H2,1-2H3
定義日:2017-08-08
最終更新日:2017-12-15
公開日:2017-12-20
識別子（ID）:N-benzyl-1-{5-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]-2-methoxyphenyl}methanamine
BJY
BJY
表記:5-hydroxy-3-{1-[(2S)-2-hydroxy-3-{5-(methylsulfonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propyl]piperidin-4-yl}-1H-pyrrolo[3,2-c]pyridin-5-ium
組成式:C29 H34 F3 N6 O4 S
SMILES:c5(c1CN(CCc1n(CC(O)CN4CCC(c2cnc3cc[n+](cc23)O)CC4)n5)S(C)(=O)=O)c6ccc(cc6)C(F)(F)F
InChi:InChI=1S/C29H33F3N6O4S/c1-43(41,42)37-13-9-27-25(18-37)28(20-2-4-21(5-3-20)29(30,31)32)34-38(27)16-22(39)15-35-10-6-19(7-11-35)23-14-33-26-8-12-36(40)17-24(23)26/h2-5,8,12,14,17,19,22,39-40H,6-7,9-11,13,15-16,18H2,1H3/p+1/t22-/m0/s1
定義日:2017-08-08
最終更新日:2017-12-15
公開日:2017-12-20
識別子（ID）:5-hydroxy-3-{1-[(2S)-2-hydroxy-3-{5-(methylsulfonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propyl]piperidin-4-yl}-1H-pyrrolo[3,2-c]pyridin-5-ium
BQJ
BQJ
表記:2-(dimethylamino)-1-[4-(2-oxo-2-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-propyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethyl)piperidin-1-yl]ethan-1-one
組成式:C34 H49 F3 N6 O2 S
SMILES:N1(CCCCC1)CCSc5c(ccc(c2nn(CCC)c4c2CN(C(CC3CCN(C(CN(C)C)=O)CC3)=O)CC4)c5)C(F)(F)F
InChi:InChI=1S/C34H49F3N6O2S/c1-4-13-43-29-12-18-42(31(44)21-25-10-16-41(17-11-25)32(45)24-39(2)3)23-27(29)33(38-43)26-8-9-28(34(35,36)37)30(22-26)46-20-19-40-14-6-5-7-15-40/h8-9,22,25H,4-7,10-21,23-24H2,1-3H3
定義日:2017-08-23
最終更新日:2017-12-15
公開日:2017-12-20
識別子（ID）:2-(dimethylamino)-1-[4-(2-oxo-2-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-propyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethyl)piperidin-1-yl]ethan-1-one
BQP
BQP
表記:2-[1-(cyclohexylmethyl)piperidin-4-yl]-1-{3-[3-{[2-(4-fluoropiperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-(3-hydroxypropyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
組成式:C37 H53 F4 N5 O2 S
SMILES:N1(CCC(F)CC1)CCSc2c(C(F)(F)F)ccc(c2)c6c3c(CCN(C3)C(=O)CC4CCN(CC4)CC5CCCCC5)n(CCCO)n6
InChi:InChI=1S/C37H53F4N5O2S/c38-30-11-17-43(18-12-30)20-22-49-34-24-29(7-8-32(34)37(39,40)41)36-31-26-45(19-13-33(31)46(42-36)14-4-21-47)35(48)23-27-9-15-44(16-10-27)25-28-5-2-1-3-6-28/h7-8,24,27-28,30,47H,1-6,9-23,25-26H2
定義日:2017-08-23
最終更新日:2017-12-15
公開日:2017-12-20
識別子（ID）:2-[1-(cyclohexylmethyl)piperidin-4-yl]-1-{3-[3-{[2-(4-fluoropiperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-(3-hydroxypropyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
BQS
BQS
表記:2-[1-(cyclohexylmethyl)piperidin-4-yl]-1-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-propyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
組成式:C37 H54 F3 N5 O S
SMILES:C1CCCCN1CCSc2cc(ccc2C(F)(F)F)c3c4c(n(CCC)n3)CCN(C4)C(=O)CC5CCN(CC5)CC6CCCCC6
InChi:InChI=1S/C37H54F3N5OS/c1-2-16-45-33-15-21-44(35(46)24-28-13-19-43(20-14-28)26-29-9-5-3-6-10-29)27-31(33)36(41-45)30-11-12-32(37(38,39)40)34(25-30)47-23-22-42-17-7-4-8-18-42/h11-12,25,28-29H,2-10,13-24,26-27H2,1H3
定義日:2017-08-23
最終更新日:2017-12-15
公開日:2017-12-20
識別子（ID）:2-[1-(cyclohexylmethyl)piperidin-4-yl]-1-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-propyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
96T
96T
表記:3-[(2~{Z})-2-[(~{E})-3-[3,3-dimethyl-1-(3-oxidanylpropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-indol-1-yl]propan-1-ol
組成式:C29 H37 N2 O2
SMILES:CC1(C)C(=CC=CC2=[N+](CCCO)c3ccccc3C2(C)C)N(CCCO)c4ccccc14
InChi:InChI=1S/C29H37N2O2/c1-28(2)22-12-5-7-14-24(22)30(18-10-20-32)26(28)16-9-17-27-29(3,4)23-13-6-8-15-25(23)31(27)19-11-21-33/h5-9,12-17,32-33H,10-11,18-21H2,1-4H3/q+1
定義日:2017-04-26
最終更新日:2017-12-15
公開日:2017-12-20
識別子（ID）:3-[(2~{Z})-2-[(~{E})-3-[3,3-dimethyl-1-(3-oxidanylpropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-indol-1-yl]propan-1-ol
9HS
9HS
表記:7-chloro-3-({4-hydroxy-1-[(3S)-3-phenylbutanoyl]piperidin-4-yl}methyl)quinazolin-4(3H)-one
組成式:C24 H26 Cl N3 O3
SMILES:c1c(ccc2C(=O)N(C=Nc12)CC3(CCN(CC3)C(CC(c4ccccc4)C)=O)O)Cl
InChi:InChI=1S/C24H26ClN3O3/c1-17(18-5-3-2-4-6-18)13-22(29)27-11-9-24(31,10-12-27)15-28-16-26-21-14-19(25)7-8-20(21)23(28)30/h2-8,14,16-17,31H,9-13,15H2,1H3/t17-/m0/s1
定義日:2017-05-12
最終更新日:2017-12-15
公開日:2017-12-20
識別子（ID）:7-chloro-3-({4-hydroxy-1-[(3S)-3-phenylbutanoyl]piperidin-4-yl}methyl)quinazolin-4(3H)-one
CWN
CWN
表記:NtMe polyamide
組成式:C58 H71 N20 O10 S
SMILES:Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4ncsc4C)cn3C)cn2C)cc1C(=O)NCCCC(=O)Nc5cn(C)c(n5)C(=O)Nc6cn(C)c(c6)C(=O)Nc7cn(C)c(c7)C(=O)Nc8cn(C)c(c8)C(=O)NCCC(=O)NCCC[NH+](C)C
InChi:InChI=1S/C58H70N20O10S/c1-33-49(62-32-89-33)57(87)67-38-23-44(76(8)29-38)55(85)65-36-21-42(74(6)27-36)53(83)63-34-19-40(72(4)25-34)51(81)60-15-11-13-48(80)69-46-31-78(10)50(70-46)58(88)68-39-24-45(77(9)30-39)56(86)66-37-22-43(75(7)28-37)54(84)64-35-20-41(73(5)26-35)52(82)61-17-14-47(79)59-16-12-18-71(2)3/h19-32H,11-18H2,1-10H3,(H,59,79)(H,60,81)(H,61,82)(H,63,83)(H,64,84)(H,65,85)(H,66,86)(H,67,87)(H,68,88)(H,69,80)/p+1
定義日:2017-12-11
最終更新日:2017-12-15
公開日:2017-12-20
識別子（ID）:dimethyl-[3-[3-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(5-methyl-1,3-thiazol-4-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]butanoylamino]imidazol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]propanoylamino]propyl]azanium
E8D
E8D
表記:2-[(3,5-difluoro-4-hydroxyphenyl)amino]-8-phenyl-7,8-dihydropteridin-6(5H)-one
組成式:C18 H13 F2 N5 O2
SMILES:c23cnc(Nc1cc(c(c(c1)F)O)F)nc2N(CC(N3)=O)c4ccccc4
InChi:InChI=1S/C18H13F2N5O2/c19-12-6-10(7-13(20)16(12)27)22-18-21-8-14-17(24-18)25(9-15(26)23-14)11-4-2-1-3-5-11/h1-8,27H,9H2,(H,23,26)(H,21,22,24)
定義日:2017-12-13
最終更新日:2017-12-15
公開日:2017-12-20
識別子（ID）:2-[(3,5-difluoro-4-hydroxyphenyl)amino]-8-phenyl-7,8-dihydropteridin-6(5H)-one
E8V
E8V
表記:4,4'-(2-aminopyridine-3,5-diyl)bis(2,6-difluorophenol)
組成式:C17 H10 F4 N2 O2
SMILES:c1(cnc(N)c(c1)c2cc(c(c(c2)F)O)F)c3cc(c(c(c3)F)O)F
InChi:InChI=1S/C17H10F4N2O2/c18-11-2-7(3-12(19)15(11)24)9-1-10(17(22)23-6-9)8-4-13(20)16(25)14(21)5-8/h1-6,24-25H,(H2,22,23)
定義日:2017-12-13
最終更新日:2017-12-15
公開日:2017-12-20
識別子（ID）:4,4'-(2-aminopyridine-3,5-diyl)bis(2,6-difluorophenol)
AJY
AJY
表記:(3Z)-6-bromo-3-(hydroxyimino)-5-methyl-1,3-dihydro-2H-indol-2-one
組成式:C9 H7 Br N2 O2
SMILES:c/12c(NC(=O)C1=NO)cc(c(c2)C)Br
InChi:InChI=1S/C9H7BrN2O2/c1-4-2-5-7(3-6(4)10)11-9(13)8(5)12-14/h2-3,14H,1H3,(H,11,12,13)
定義日:2017-07-19
最終更新日:2017-12-15
公開日:2017-12-20
識別子（ID）:(3Z)-6-bromo-3-(hydroxyimino)-5-methyl-1,3-dihydro-2H-indol-2-one
AOZ
AOZ
表記:Histopine
組成式:C9 H13 N3 O4
SMILES:C[CH](N[CH](Cc1c[nH]cn1)C(O)=O)C(O)=O
InChi:InChI=1S/C9H13N3O4/c1-5(8(13)14)12-7(9(15)16)2-6-3-10-4-11-6/h3-5,7,12H,2H2,1H3,(H,10,11)(H,13,14)(H,15,16)/t5-,7+/m1/s1
定義日:2017-08-22
最終更新日:2017-12-15
公開日:2017-12-20
識別子（ID）:3-(1~{H}-imidazol-4-yl)-2-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]propanoic acid
P2L
P2L
表記:4-chlorol-2-methyl-5-[[(3~{R})-1-methylpiperidin-3-yl]amino]pyridazin-3-one
組成式:C11 H17 Cl N4 O
SMILES:CN1CCC[CH](C1)NC2=C(Cl)C(=O)N(C)N=C2
InChi:InChI=1S/C11H17ClN4O/c1-15-5-3-4-8(7-15)14-9-6-13-16(2)11(17)10(9)12/h6,8,14H,3-5,7H2,1-2H3/t8-/m1/s1
定義日:2016-12-06
最終更新日:2017-12-15
公開日:2017-12-20
識別子（ID）:4-chloranyl-2-methyl-5-[[(3~{R})-1-methylpiperidin-3-yl]amino]pyridazin-3-one
7K8
7K8
表記:[(2~{R},3~{S},5~{R})-5-[(4~{E})-4-hydroxyimino-2-oxidanylidene-1,3-diazinan-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
組成式:C9 H16 N3 O8 P
SMILES:ON=C1CCN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)N1
InChi:InChI=1S/C9H16N3O8P/c13-5-3-8(20-6(5)4-19-21(16,17)18)12-2-1-7(11-15)10-9(12)14/h5-6,8,13,15H,1-4H2,(H,10,11,14)(H2,16,17,18)/t5-,6+,8+/m0/s1
定義日:2016-11-03
最終更新日:2017-12-15
公開日:2017-12-20
識別子（ID）:[(2~{R},3~{S},5~{R})-5-[(4~{E})-4-hydroxyimino-2-oxidanylidene-1,3-diazinan-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
7KT
7KT
表記:~{N},2,4,6-tetramethylbenzenesulfonamide
組成式:C10 H15 N O2 S
SMILES:CN[S](=O)(=O)c1c(C)cc(C)cc1C
InChi:InChI=1S/C10H15NO2S/c1-7-5-8(2)10(9(3)6-7)14(12,13)11-4/h5-6,11H,1-4H3
定義日:2016-11-07
最終更新日:2017-12-15
公開日:2017-12-20
識別子（ID）:~{N},2,4,6-tetramethylbenzenesulfonamide

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