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O0J
O0J
表記:N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide
組成式:C11 H11 N3 O S
SMILES:Nc2nc(c1ccc(cc1)NC(C)=O)cs2
InChi:InChI=1S/C11H11N3OS/c1-7(15)13-9-4-2-8(3-5-9)10-6-16-11(12)14-10/h2-6H,1H3,(H2,12,14)(H,13,15)
定義日:2019-06-04
最終更新日:2019-08-16
公開日:2019-08-21
識別子（ID）:N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide
O0M
O0M
表記:1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol
組成式:C15 H23 N O
SMILES:c1c(C(C)C)ccc(c1)CN2CCC(O)CC2
InChi:InChI=1S/C15H23NO/c1-12(2)14-5-3-13(4-6-14)11-16-9-7-15(17)8-10-16/h3-6,12,15,17H,7-11H2,1-2H3
定義日:2019-06-04
最終更新日:2019-08-16
公開日:2019-08-21
識別子（ID）:1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol
O0P
O0P
表記:N-[(3-fluorophenyl)methyl]-N-methylsulfuric diamide
組成式:C8 H11 F N2 O2 S
SMILES:NS(N(C)Cc1cc(ccc1)F)(=O)=O
InChi:InChI=1S/C8H11FN2O2S/c1-11(14(10,12)13)6-7-3-2-4-8(9)5-7/h2-5H,6H2,1H3,(H2,10,12,13)
定義日:2019-06-04
最終更新日:2019-08-16
公開日:2019-08-21
識別子（ID）:N-[(3-fluorophenyl)methyl]-N-methylsulfuric diamide
O0S
O0S
表記:N-{4-[(pyrimidin-2-yl)oxy]phenyl}acetamide
組成式:C12 H11 N3 O2
SMILES:n1cccnc1Oc2ccc(NC(C)=O)cc2
InChi:InChI=1S/C12H11N3O2/c1-9(16)15-10-3-5-11(6-4-10)17-12-13-7-2-8-14-12/h2-8H,1H3,(H,15,16)
定義日:2019-06-04
最終更新日:2019-08-16
公開日:2019-08-21
識別子（ID）:N-{4-[(pyrimidin-2-yl)oxy]phenyl}acetamide
O0V
O0V
表記:(2S)-2-[(3-fluoropyridin-2-yl)(methyl)amino]propan-1-ol
組成式:C9 H13 F N2 O
SMILES:n1c(N(C(C)CO)C)c(ccc1)F
InChi:InChI=1S/C9H13FN2O/c1-7(6-13)12(2)9-8(10)4-3-5-11-9/h3-5,7,13H,6H2,1-2H3/t7-/m0/s1
定義日:2019-06-04
最終更新日:2019-08-16
公開日:2019-08-21
識別子（ID）:(2S)-2-[(3-fluoropyridin-2-yl)(methyl)amino]propan-1-ol
O0Y
O0Y
表記:3-(diethylamino)phenol
組成式:C10 H15 N O
SMILES:c1(N(CC)CC)cccc(c1)O
InChi:InChI=1S/C10H15NO/c1-3-11(4-2)9-6-5-7-10(12)8-9/h5-8,12H,3-4H2,1-2H3
定義日:2019-06-04
最終更新日:2019-08-16
公開日:2019-08-21
識別子（ID）:3-(diethylamino)phenol
O1A
O1A
表記:N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
組成式:C13 H19 N3 O
SMILES:N1(CCN(CC1)C)c2ccc(cc2)NC(C)=O
InChi:InChI=1S/C13H19N3O/c1-11(17)14-12-3-5-13(6-4-12)16-9-7-15(2)8-10-16/h3-6H,7-10H2,1-2H3,(H,14,17)
定義日:2019-06-04
最終更新日:2019-08-16
公開日:2019-08-21
識別子（ID）:N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
O1D
O1D
表記:3-(benzyloxy)aniline
組成式:C13 H13 N O
SMILES:c2(OCc1ccccc1)cc(N)ccc2
InChi:InChI=1S/C13H13NO/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-9H,10,14H2
定義日:2019-06-04
最終更新日:2019-08-16
公開日:2019-08-21
識別子（ID）:3-(benzyloxy)aniline
O1J
O1J
表記:(benzyloxy)acetic acid
組成式:C9 H10 O3
SMILES:c1ccccc1COCC(=O)O
InChi:InChI=1S/C9H10O3/c10-9(11)7-12-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
定義日:2019-06-04
最終更新日:2019-08-16
公開日:2019-08-21
識別子（ID）:(benzyloxy)acetic acid
O1M
O1M
表記:4-(4-fluorophenyl)piperazine-1-carboxamide
組成式:C11 H14 F N3 O
SMILES:N2(C(N)=O)CCN(c1ccc(cc1)F)CC2
InChi:InChI=1S/C11H14FN3O/c12-9-1-3-10(4-2-9)14-5-7-15(8-6-14)11(13)16/h1-4H,5-8H2,(H2,13,16)
定義日:2019-06-04
最終更新日:2019-08-16
公開日:2019-08-21
識別子（ID）:4-(4-fluorophenyl)piperazine-1-carboxamide
O2D
O2D
表記:2-cyclohexyl-N-(4H-1,2,4-triazol-4-yl)acetamide
組成式:C10 H16 N4 O
SMILES:N(C(CC1CCCCC1)=O)n2cnnc2
InChi:InChI=1S/C10H16N4O/c15-10(13-14-7-11-12-8-14)6-9-4-2-1-3-5-9/h7-9H,1-6H2,(H,13,15)
定義日:2019-06-05
最終更新日:2019-08-16
公開日:2019-08-21
識別子（ID）:2-cyclohexyl-N-(4H-1,2,4-triazol-4-yl)acetamide
O2J
O2J
表記:(2R)-2-(methoxymethyl)-4-(pyridin-2-yl)morpholine
組成式:C11 H16 N2 O2
SMILES:N2(c1ccccn1)CCOC(C2)COC
InChi:InChI=1S/C11H16N2O2/c1-14-9-10-8-13(6-7-15-10)11-4-2-3-5-12-11/h2-5,10H,6-9H2,1H3/t10-/m1/s1
定義日:2019-06-05
最終更新日:2019-08-16
公開日:2019-08-21
識別子（ID）:(2R)-2-(methoxymethyl)-4-(pyridin-2-yl)morpholine
O2M
O2M
表記:N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide
組成式:C9 H10 N4 O S
SMILES:N(Cc1nc(C)cs1)C(=O)c2nncc2
InChi:InChI=1S/C9H10N4OS/c1-6-5-15-8(12-6)4-10-9(14)7-2-3-11-13-7/h2-3,5H,4H2,1H3,(H,10,14)(H,11,13)
定義日:2019-06-05
最終更新日:2019-08-16
公開日:2019-08-21
識別子（ID）:N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide
O2P
O2P
表記:N-(2-hydroxy-4-methylphenyl)-2-methylbenzamide
組成式:C15 H15 N O2
SMILES:N(c1ccc(cc1O)C)C(=O)c2ccccc2C
InChi:InChI=1S/C15H15NO2/c1-10-7-8-13(14(17)9-10)16-15(18)12-6-4-3-5-11(12)2/h3-9,17H,1-2H3,(H,16,18)
定義日:2019-06-05
最終更新日:2019-08-16
公開日:2019-08-21
識別子（ID）:N-(2-hydroxy-4-methylphenyl)-2-methylbenzamide
O3A
O3A
表記:(3S)-N-methyl-N-phenylpyrrolidine-3-carboxamide
組成式:C12 H16 N2 O
SMILES:N(C(C1CCNC1)=O)(c2ccccc2)C
InChi:InChI=1S/C12H16N2O/c1-14(11-5-3-2-4-6-11)12(15)10-7-8-13-9-10/h2-6,10,13H,7-9H2,1H3/t10-/m0/s1
定義日:2019-06-06
最終更新日:2019-08-16
公開日:2019-08-21
識別子（ID）:(3S)-N-methyl-N-phenylpyrrolidine-3-carboxamide
O3D
O3D
表記:4-[(furan-2-yl)methyl]-1lambda~6~,4-thiazinane-1,1-dione
組成式:C9 H13 N O3 S
SMILES:N1(CCS(CC1)(=O)=O)Cc2ccco2
InChi:InChI=1S/C9H13NO3S/c11-14(12)6-3-10(4-7-14)8-9-2-1-5-13-9/h1-2,5H,3-4,6-8H2
定義日:2019-06-06
最終更新日:2019-08-16
公開日:2019-08-21
識別子（ID）:4-[(furan-2-yl)methyl]-1lambda~6~,4-thiazinane-1,1-dione
O3G
O3G
表記:N-benzyl-1-(4-fluorophenyl)methanamine
組成式:C14 H14 F N
SMILES:N(Cc1ccc(F)cc1)Cc2ccccc2
InChi:InChI=1S/C14H14FN/c15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-9,16H,10-11H2
定義日:2019-06-06
最終更新日:2019-08-16
公開日:2019-08-21
識別子（ID）:N-benzyl-1-(4-fluorophenyl)methanamine
O3M
O3M
表記:4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]phenol
組成式:C16 H17 N O
SMILES:C(N1CCc2c(C1)cccc2)c3ccc(cc3)O
InChi:InChI=1S/C16H17NO/c18-16-7-5-13(6-8-16)11-17-10-9-14-3-1-2-4-15(14)12-17/h1-8,18H,9-12H2
定義日:2019-06-06
最終更新日:2019-08-16
公開日:2019-08-21
識別子（ID）:4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]phenol
OJ4
OJ4
表記:4-[(2S)-2-hydroxy-3-{[(2R)-2-hydroxy-3-(4-sulfamoylphenoxy)propyl]tellanyl}propoxy]benzene-1-sulfonamide
組成式:C18 H24 N2 O8 S2 Te
SMILES:c1cc(ccc1OCC(C[Te]CC(COc2ccc(cc2)S(N)(=O)=O)O)O)S(N)(=O)=O
InChi:InChI=1S/C18H24N2O8S2Te/c19-29(23,24)17-5-1-15(2-6-17)27-9-13(21)11-31-12-14(22)10-28-16-3-7-18(8-4-16)30(20,25)26/h1-8,13-14,21-22H,9-12H2,(H2,19,23,24)(H2,20,25,26)/t13-,14+
定義日:2019-06-25
最終更新日:2019-08-16
公開日:2019-08-21
識別子（ID）:4-[(2S)-2-hydroxy-3-{[(2R)-2-hydroxy-3-(4-sulfamoylphenoxy)propyl]tellanyl}propoxy]benzene-1-sulfonamide
9WR
9WR
表記:[6-(3-hydroxy-4-methylphenyl)pyridin-2-yl](3,4,5-trimethoxyphenyl)methanone
組成式:C22 H21 N O5
SMILES:COc3cc(C(c1nc(ccc1)c2cc(c(cc2)C)O)=O)cc(c3OC)OC
InChi:InChI=1S/C22H21NO5/c1-13-8-9-14(10-18(13)24)16-6-5-7-17(23-16)21(25)15-11-19(26-2)22(28-4)20(12-15)27-3/h5-12,24H,1-4H3
定義日:2018-08-22
最終更新日:2019-08-16
公開日:2019-08-21
識別子（ID）:[6-(3-hydroxy-4-methylphenyl)pyridin-2-yl](3,4,5-trimethoxyphenyl)methanone
9WX
9WX
表記:ethyl [4-({3-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-5-yl}sulfonyl)-1H-imidazol-1-yl]acetate
組成式:C23 H25 N5 O6 S
SMILES:CCOC(Cn1cnc(c1)S(=O)(=O)n3c2nc(cnc2cc3)CCc4cc(cc(c4)OC)OC)=O
InChi:InChI=1S/C23H25N5O6S/c1-4-34-22(29)14-27-13-21(25-15-27)35(30,31)28-8-7-20-23(28)26-17(12-24-20)6-5-16-9-18(32-2)11-19(10-16)33-3/h7-13,15H,4-6,14H2,1-3H3
定義日:2018-08-22
最終更新日:2019-08-16
公開日:2019-08-21
識別子（ID）:ethyl [4-({3-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-5-yl}sulfonyl)-1H-imidazol-1-yl]acetate
B5O
B5O
表記:(6R)-1-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]-6-propan-2-yl-6,7-dihydro-5H-benzotriazol-4-one
組成式:C22 H20 F3 N3 O2
SMILES:CC(C)[CH]1CC(=O)c2nnn(c3cc(F)c(c(F)c3)c4cc(CO)ccc4F)c2C1
InChi:InChI=1S/C22H20F3N3O2/c1-11(2)13-6-19-22(20(30)7-13)26-27-28(19)14-8-17(24)21(18(25)9-14)15-5-12(10-29)3-4-16(15)23/h3-5,8-9,11,13,29H,6-7,10H2,1-2H3/t13-/m1/s1
定義日:2019-01-17
最終更新日:2019-08-16
公開日:2019-08-21
識別子（ID）:(6~{R})-1-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]-6-propan-2-yl-6,7-dihydro-5~{H}-benzotriazol-4-one
B5X
B5X
表記:(6R)-1-[4-[3-(dimethylamino)phenyl]-3,5-bis(fluoranyl)phenyl]-6-propan-2-yl-6,7-dihydro-5H-benzotriazol-4-one
組成式:C23 H24 F2 N4 O
SMILES:CC(C)[CH]1CC(=O)c2nnn(c3cc(F)c(c(F)c3)c4cccc(c4)N(C)C)c2C1
InChi:InChI=1S/C23H24F2N4O/c1-13(2)15-9-20-23(21(30)10-15)26-27-29(20)17-11-18(24)22(19(25)12-17)14-6-5-7-16(8-14)28(3)4/h5-8,11-13,15H,9-10H2,1-4H3/t15-/m1/s1
定義日:2019-01-17
最終更新日:2019-08-16
公開日:2019-08-21
識別子（ID）:(6~{R})-1-[4-[3-(dimethylamino)phenyl]-3,5-bis(fluoranyl)phenyl]-6-propan-2-yl-6,7-dihydro-5~{H}-benzotriazol-4-one
5XR
5XR
表記:2-hydroxy-N-[(1S)-1-hydroxy-3-oxopropyl]-L-aspartic acid
組成式:C7 H11 N O7
SMILES:O=C(O)CC(NC(O)CC=O)(C(O)=O)O
InChi:InChI=1S/C7H11NO7/c9-2-1-4(10)8-7(15,6(13)14)3-5(11)12/h2,4,8,10,15H,1,3H2,(H,11,12)(H,13,14)/t4-,7+/m0/s1
定義日:2015-12-23
最終更新日:2019-08-16
公開日:2019-08-21
識別子（ID）:2-hydroxy-N-[(1S)-1-hydroxy-3-oxopropyl]-L-aspartic acid
5XW
5XW
表記:(2~{Z})-2-(1-oxidanyl-3-oxidanylidene-propyl)iminobutanedioic acid
組成式:C7 H9 N O6
SMILES:O[CH](CC=O)N=C(CC(O)=O)C(O)=O
InChi:InChI=1S/C7H9NO6/c9-2-1-5(10)8-4(7(13)14)3-6(11)12/h2,5,10H,1,3H2,(H,11,12)(H,13,14)/b8-4-/t5-/m1/s1
定義日:2015-12-28
最終更新日:2019-08-16
公開日:2019-08-21
識別子（ID）:(2~{Z})-2-(1-oxidanyl-3-oxidanylidene-propyl)iminobutanedioic acid

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