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P5V
P5V
表記:(3S)-1'-(cyclopropanecarbonyl)-5-(quinoxalin-6-yl)spiro[indole-3,2'-pyrrolidin]-2(1H)-one
組成式:C23 H20 N4 O2
SMILES:C2(=O)Nc1ccc(cc1C24CCCN4C(=O)C3CC3)c5cc6c(cc5)nccn6
InChi:InChI=1S/C23H20N4O2/c28-21(14-2-3-14)27-11-1-8-23(27)17-12-15(4-6-18(17)26-22(23)29)16-5-7-19-20(13-16)25-10-9-24-19/h4-7,9-10,12-14H,1-3,8,11H2,(H,26,29)/t23-/m0/s1
定義日:2019-07-31
最終更新日:2019-08-23
公開日:2019-08-28
識別子（ID）:(3S)-1'-(cyclopropanecarbonyl)-5-(quinoxalin-6-yl)spiro[indole-3,2'-pyrrolidin]-2(1H)-one
D39
D39
表記:(2~{S})-2-azanyl-3-[[(2~{R})-3-hexadecanoyloxy-2-[(~{Z})-octadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid
組成式:C40 H76 N O10 P
SMILES:CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](N)C(O)=O)OC(=O)CCCCCCCC=CCCCCCCCC
InChi:InChI=1S/C40H76NO10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(43)51-36(34-49-52(46,47)50-35-37(41)40(44)45)33-48-38(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,36-37H,3-16,19-35,41H2,1-2H3,(H,44,45)(H,46,47)/b18-17-/t36-,37+/m1/s1
定義日:2019-06-12
最終更新日:2019-08-23
公開日:2019-08-28
識別子（ID）:(2~{S})-2-azanyl-3-[[(2~{R})-3-hexadecanoyloxy-2-[(~{Z})-octadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid
D3L
D3L
表記:(5-methoxy-1H-indol-2-yl)-phenyl-methanone
組成式:C16 H13 N O2
SMILES:COc1ccc2[nH]c(cc2c1)C(=O)c3ccccc3
InChi:InChI=1S/C16H13NO2/c1-19-13-7-8-14-12(9-13)10-15(17-14)16(18)11-5-3-2-4-6-11/h2-10,17H,1H3
定義日:2019-06-19
最終更新日:2019-08-23
公開日:2019-08-28
識別子（ID）:(5-methoxy-1~{H}-indol-2-yl)-phenyl-methanone
B0U
B0U
表記:3-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]propanoic acid
組成式:C9 H19 N O5
SMILES:NCCOCCOCCOCCC(O)=O
InChi:InChI=1S/C9H19NO5/c10-2-4-14-6-8-15-7-5-13-3-1-9(11)12/h1-8,10H2,(H,11,12)
定義日:2018-12-27
最終更新日:2019-08-23
公開日:2019-08-28
識別子（ID）:3-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]propanoic acid
NJG
NJG
表記:(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{({4-[(1R)-1,2-dihydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
組成式:C30 H42 N2 O9 S
SMILES:C(C(Cc1ccccc1)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(C)CC)S(c4ccc(cc4)C(CO)O)(=O)=O)O
InChi:InChI=1S/C30H42N2O9S/c1-3-20(2)16-32(42(37,38)23-11-9-22(10-12-23)27(35)18-33)17-26(34)25(15-21-7-5-4-6-8-21)31-30(36)41-28-19-40-29-24(28)13-14-39-29/h4-12,20,24-29,33-35H,3,13-19H2,1-2H3,(H,31,36)/t20-,24-,25-,26+,27-,28-,29+/m0/s1
定義日:2019-05-14
最終更新日:2019-08-16
公開日:2019-08-21
識別子（ID）:(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{({4-[(1R)-1,2-dihydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
NJJ
NJJ
表記:(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1S)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate
組成式:C31 H44 N2 O9 S
SMILES:C(C)C(CN(CC(C(Cc1ccccc1)NC(OC3COC2C3CCO2)=O)O)S(c4ccc(cc4)C(CO)O)(=O)=O)CC
InChi:InChI=1S/C31H44N2O9S/c1-3-21(4-2)17-33(43(38,39)24-12-10-23(11-13-24)28(36)19-34)18-27(35)26(16-22-8-6-5-7-9-22)32-31(37)42-29-20-41-30-25(29)14-15-40-30/h5-13,21,25-30,34-36H,3-4,14-20H2,1-2H3,(H,32,37)/t25-,26-,27+,28+,29-,30+/m0/s1
定義日:2019-05-14
最終更新日:2019-08-16
公開日:2019-08-21
識別子（ID）:(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1S)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate
NJM
NJM
表記:(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
組成式:C28 H38 N2 O8 S
SMILES:C(C(Cc1ccccc1)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(C)C)S(c4ccc(cc4)CO)(=O)=O)O
InChi:InChI=1S/C28H38N2O8S/c1-19(2)15-30(39(34,35)22-10-8-21(17-31)9-11-22)16-25(32)24(14-20-6-4-3-5-7-20)29-28(33)38-26-18-37-27-23(26)12-13-36-27/h3-11,19,23-27,31-32H,12-18H2,1-2H3,(H,29,33)/t23-,24-,25+,26-,27+/m0/s1
定義日:2019-05-14
最終更新日:2019-08-16
公開日:2019-08-21
識別子（ID）:(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
O0G
O0G
表記:(2S)-2-[(5-chloro-3-fluoropyridin-2-yl)amino]propan-1-ol
組成式:C8 H10 Cl F N2 O
SMILES:n1c(c(cc(c1)Cl)F)NC(C)CO
InChi:InChI=1S/C8H10ClFN2O/c1-5(4-13)12-8-7(10)2-6(9)3-11-8/h2-3,5,13H,4H2,1H3,(H,11,12)/t5-/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-[(5-chloro-3-fluoropyridin-2-yl)amino]propan-1-ol
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
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
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
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
O3J
O3J
表記:1-[4-(3-phenylpropyl)piperazin-1-yl]ethan-1-one
組成式:C15 H22 N2 O
SMILES:N2(CCCc1ccccc1)CCN(C(C)=O)CC2
InChi:InChI=1S/C15H22N2O/c1-14(18)17-12-10-16(11-13-17)9-5-8-15-6-3-2-4-7-15/h2-4,6-7H,5,8-13H2,1H3
定義日:2019-06-06
最終更新日:2019-08-16
公開日:2019-08-21
識別子（ID）:1-[4-(3-phenylpropyl)piperazin-1-yl]ethan-1-one
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
KVT
KVT
表記:~{N}-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[4,4-dimethyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethanamide
組成式:C20 H28 N4 O5 S
SMILES:Cc1ccc(NC(=O)CN2C(=O)NC(C)(C)C2=O)cc1[S](=O)(=O)N3CCCCCC3
InChi:InChI=1S/C20H28N4O5S/c1-14-8-9-15(12-16(14)30(28,29)23-10-6-4-5-7-11-23)21-17(25)13-24-18(26)20(2,3)22-19(24)27/h8-9,12H,4-7,10-11,13H2,1-3H3,(H,21,25)(H,22,27)
定義日:2019-07-01
最終更新日:2019-08-16
公開日:2019-08-21
識別子（ID）:~{N}-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[4,4-dimethyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethanamide

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