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NZC
NZC
表記:N-methylidene-L-threonine
組成式:C5 H11 N O3
SMILES:O=C(O)C(NC)C(O)C
InChi:InChI=1S/C5H11NO3/c1-3(7)4(6-2)5(8)9/h3-4,6-7H,1-2H3,(H,8,9)/t3-,4+/m1/s1
定義日:2015-02-05
最終更新日:2024-09-27
公開日:2015-06-03
識別子（ID）:N-methyl-L-threonine
NZH
NZH
表記:(2S)-2-AMINO-3-[1-(1H-TETRAAZOL-5-YL)-1H-IMIDAZOL-4-YL]PROPANAL
組成式:C7 H9 N7 O
SMILES:O=CC(N)Cc2ncn(c1nnnn1)c2
InChi:InChI=1S/C7H9N7O/c8-5(3-15)1-6-2-14(4-9-6)7-10-12-13-11-7/h2-5H,1,8H2,(H,10,11,12,13)/t5-/m0/s1
別名:TETRAZOLYL HISTIDINE
定義日:2004-12-28
最終更新日:2024-09-27
識別子（ID）:(2S)-2-amino-3-[1-(1H-tetrazol-5-yl)-1H-imidazol-4-yl]propanal
NZM
NZM
表記:cefixime, bound form
組成式:C16 H17 N5 O7 S2
SMILES:OC(=O)CON=C(/C(=O)NC(C=O)C1SCC(=C(N1)C(O)=O)[C@H]=C)c2csc(N)n2
InChi:InChI=1S/C16H17N5O7S2/c1-2-7-5-29-14(20-11(7)15(26)27)8(3-22)18-13(25)12(21-28-4-10(23)24)9-6-30-16(17)19-9/h2-3,6,8,14,20H,1,4-5H2,(H2,17,19)(H,18,25)(H,23,24)(H,26,27)/b21-12-/t8-,14-/m1/s1
定義日:2019-05-30
最終更新日:2024-09-27
公開日:2019-08-07
識別子（ID）:(2R)-2-[(1R)-1-({(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetyl}amino)-2-oxoethyl]-5-ethenyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
7EP
7EP
表記:(2R,4S)-2-[(1R)-1-{[(2,6-dimethoxyphenyl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
組成式:C17 H22 N2 O6 S
SMILES:O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)c2c(OC)cccc2OC
InChi:InChI=1S/C17H22N2O6S/c1-17(2)13(16(22)23)19-15(26-17)9(8-20)18-14(21)12-10(24-3)6-5-7-11(12)25-4/h5-9,13,15,19H,1-4H3,(H,18,21)(H,22,23)/t9-,13+,15-/m1/s1
別名:methicillin, bound form
定義日:2010-06-28
最終更新日:2024-09-27
識別子（ID）:(2R,4S)-2-{(1R)-1-[(2,6-dimethoxybenzoyl)amino]-2-oxoethyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
NZV
NZV
表記:ceftriaxone, bound form
組成式:C18 H20 N8 O8 S3
SMILES:O=C(/C(c1csc(N)n1)=NOC)NC(C(O)=O)C2SCC(=C(N2)C(O)=O)CSC=3N(NC(C(N=3)=O)=O)C
InChi:InChI=1S/C18H20N8O8S3/c1-26-18(23-12(28)13(29)24-26)37-4-6-3-35-14(22-8(6)15(30)31)10(16(32)33)21-11(27)9(25-34-2)7-5-36-17(19)20-7/h5,10,14,22H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,24,29)(H,30,31)(H,32,33)/b25-9-/t10-,14+/m0/s1
定義日:2019-05-30
最終更新日:2024-09-27
公開日:2019-08-07
識別子（ID）:(2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
NZX
NZX
表記:1-[6-[3-cyclohexyl-5-methyl-4-(5-methyl-1~{H}-indazol-4-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one
組成式:C27 H35 N5 O
SMILES:CCC(=O)N1CC2(CC(C2)n3nc(C4CCCCC4)c(c3C)c5c(C)ccc6[nH]ncc56)C1
InChi:InChI=1S/C27H35N5O/c1-4-23(33)31-15-27(16-31)12-20(13-27)32-18(3)25(26(30-32)19-8-6-5-7-9-19)24-17(2)10-11-22-21(24)14-28-29-22/h10-11,14,19-20H,4-9,12-13,15-16H2,1-3H3,(H,28,29)
別名:1-[6-[3-cyclohexyl-5-methyl-4-(5-methyl-1H-indazol-4-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]prop-2-en-1-one (precursor)
定義日:2022-08-25
最終更新日:2024-09-27
公開日:2022-12-07
識別子（ID）:1-[6-[3-cyclohexyl-5-methyl-4-(5-methyl-1~{H}-indazol-4-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one
7F1
7F1
表記:(2S)-N-[(E,2S)-1-(1H-indol-3-yl)-4-methylsulfonyl-but-3-en-2-yl]-2-[[(2S)-3-(1H-indol-3-yl)-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]-4-methyl-pentanamide
組成式:C36 H46 N6 O6 S
SMILES:CC(C)C[CH](NC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)CN3CCOCC3)C(=O)N[CH](Cc4c[nH]c5ccccc45)C=C[S](C)(=O)=O
InChi:InChI=1S/C36H46N6O6S/c1-24(2)18-32(35(44)39-27(12-17-49(3,46)47)19-25-21-37-30-10-6-4-8-28(25)30)41-36(45)33(40-34(43)23-42-13-15-48-16-14-42)20-26-22-38-31-11-7-5-9-29(26)31/h4-12,17,21-22,24,27,32-33,37-38H,13-16,18-20,23H2,1-3H3,(H,39,44)(H,40,43)(H,41,45)/t27-,32+,33+/m1/s1
定義日:2015-11-04
最終更新日:2024-09-27
公開日:2016-03-02
識別子（ID）:(2S)-N-[(E,2S)-1-(1H-indol-3-yl)-4-methylsulfonyl-but-3-en-2-yl]-2-[[(2S)-3-(1H-indol-3-yl)-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]-4-methyl-pentanamide
7F2
7F2
表記:(2R)-octane-1,2-diol
組成式:C8 H18 O2
SMILES:CCCCCCC(CO)O
InChi:InChI=1S/C8H18O2/c1-2-3-4-5-6-8(10)7-9/h8-10H,2-7H2,1H3/t8-/m1/s1
定義日:2016-10-17
最終更新日:2024-09-27
公開日:2017-10-11
識別子（ID）:(2R)-octane-1,2-diol
7F6
7F6
表記:(1R,2R)-1,2-diphenylethane-1,2-diol
組成式:C14 H14 O2
SMILES:C(C(c1ccccc1)O)(O)c2ccccc2
InChi:InChI=1S/C14H14O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-16H/t13-,14-/m1/s1
別名:cis-stilbene epoxide, bound form
定義日:2016-10-17
最終更新日:2024-09-27
公開日:2017-10-11
識別子（ID）:(1R,2R)-1,2-diphenylethane-1,2-diol
7FA
7FA
表記:methyl (R)-(6Z,9Z,12Z)-octadeca-6,9,12-trien-1-ylphosphonofluoridate
組成式:C19 H34 F O2 P
SMILES:C(CCCCC=C/CC=C/CC=C/CCCCC)P(F)(OC)=O
InChi:InChI=1S/C19H34FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20,21)22-2/h7-8,10-11,13-14H,3-6,9,12,15-19H2,1-2H3/b8-7?,11-10-,14-13-/t23-/m1/s1
定義日:2011-09-14
最終更新日:2024-09-27
識別子（ID）:methyl (R)-(6Z,9Z,12Z)-octadeca-6,9,12-trien-1-ylphosphonofluoridate
7FB
7FB
表記:(2R)-hexane-1,2-diol
組成式:C6 H14 O2
SMILES:OCC(CCCC)O
InChi:InChI=1S/C6H14O2/c1-2-3-4-6(8)5-7/h6-8H,2-5H2,1H3/t6-/m1/s1
定義日:2016-10-18
最終更新日:2024-09-27
公開日:2016-11-02
識別子（ID）:(2R)-hexane-1,2-diol
O0O
O0O
表記:2-chloranyl-~{N}-[[1-[4-[(4-chlorophenyl)amino]piperidin-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide
組成式:C20 H28 Cl2 N4 O2
SMILES:ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCNCC2)Nc3ccc(Cl)cc3
InChi:InChI=1S/C20H28Cl2N4O2/c21-13-18(27)24-14-15-5-11-26(12-6-15)19(28)20(7-9-23-10-8-20)25-17-3-1-16(22)2-4-17/h1-4,15,23,25H,5-14H2,(H,24,27)
定義日:2022-08-25
最終更新日:2024-09-27
公開日:2023-09-20
識別子（ID）:2-chloranyl-~{N}-[[1-[4-[(4-chlorophenyl)amino]piperidin-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide
O0U
O0U
表記:2-chloranyl-~{N}-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide
組成式:C22 H16 Cl N3 O4
SMILES:CCc1ccc(cc1)c2oc3ccc(NC(=O)c4cc(ccc4Cl)[N](=O)=O)cc3n2
InChi:InChI=1S/C22H16ClN3O4/c1-2-13-3-5-14(6-4-13)22-25-19-11-15(7-10-20(19)30-22)24-21(27)17-12-16(26(28)29)8-9-18(17)23/h3-12H,2H2,1H3,(H,24,27)
定義日:2022-08-25
最終更新日:2024-09-27
公開日:2022-11-09
識別子（ID）:2-chloranyl-~{N}-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide
O10
O10
表記:(5M)-5-(5-bromo-2-chloropyrimidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine
組成式:C10 H5 Br Cl N5
SMILES:Brc1cnc(Cl)nc1n1ccc2ncncc21
InChi:InChI=1S/C10H5BrClN5/c11-6-3-14-10(12)16-9(6)17-2-1-7-8(17)4-13-5-15-7/h1-5H
定義日:2022-04-15
最終更新日:2024-09-27
公開日:2022-07-06
識別子（ID）:(5M)-5-(5-bromo-2-chloropyrimidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine
O12
O12
表記:N~5~-dodecanoyl-L-ornithine
組成式:C17 H34 N2 O3
SMILES:O=C(NCCCC(N)C(=O)O)CCCCCCCCCCC
InChi:InChI=1S/C17H34N2O3/c1-2-3-4-5-6-7-8-9-10-13-16(20)19-14-11-12-15(18)17(21)22/h15H,2-14,18H2,1H3,(H,19,20)(H,21,22)/t15-/m0/s1
定義日:2008-02-25
最終更新日:2024-09-27
識別子（ID）:N~5~-dodecanoyl-L-ornithine
7G8
7G8
表記:4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{N}-methyl-pyridine-2-carboxamide
組成式:C26 H24 F N7 O3
SMILES:CCC(=O)Nc1cccc(Nc2nc(Nc3ccc(Oc4ccnc(c4)C(=O)NC)cc3)ncc2F)c1
InChi:InChI=1S/C26H24FN7O3/c1-3-23(35)31-17-5-4-6-18(13-17)32-24-21(27)15-30-26(34-24)33-16-7-9-19(10-8-16)37-20-11-12-29-22(14-20)25(36)28-2/h4-15H,3H2,1-2H3,(H,28,36)(H,31,35)(H2,30,32,33,34)
定義日:2016-10-19
最終更新日:2024-09-27
公開日:2017-05-24
識別子（ID）:4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{N}-methyl-pyridine-2-carboxamide
7G9
7G9
表記:~{N}-[3-[[5-fluoranyl-2-[[4-(2-methoxyethoxy)phenyl]amino]pyrimidin-4-yl]amino]phenyl]propanamide
組成式:C22 H24 F N5 O3
SMILES:CCC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)cc3)ncc2F)c1
InChi:InChI=1S/C22H24FN5O3/c1-3-20(29)25-16-5-4-6-17(13-16)26-21-19(23)14-24-22(28-21)27-15-7-9-18(10-8-15)31-12-11-30-2/h4-10,13-14H,3,11-12H2,1-2H3,(H,25,29)(H2,24,26,27,28)
定義日:2016-10-19
最終更新日:2024-09-27
公開日:2017-05-24
識別子（ID）:~{N}-[3-[[5-fluoranyl-2-[[4-(2-methoxyethoxy)phenyl]amino]pyrimidin-4-yl]amino]phenyl]propanamide
7GA
7GA
表記:2,4-DIMETHYLPENTANAL
組成式:C7 H14 O2
SMILES:CC(C)C[CH](C)C(O)=O
InChi:InChI=1S/C7H14O2/c1-5(2)4-6(3)7(8)9/h5-6H,4H2,1-3H3,(H,8,9)/t6-/m0/s1
定義日:2015-07-30
最終更新日:2024-09-27
公開日:2015-09-30
識別子（ID）:(2S)-2,4-dimethylpentanoic acid
7GB
7GB
表記:6-azanyl-9-[(3~{R})-1-[(~{E})-but-2-enoyl]pyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one
組成式:C25 H24 N6 O3
SMILES:CC=CC(=O)N1CC[CH](C1)N2C(=O)N(c3ccc(Oc4ccccc4)cc3)c5c(N)ncnc25
InChi:InChI=1S/C25H24N6O3/c1-2-6-21(32)29-14-13-18(15-29)31-24-22(23(26)27-16-28-24)30(25(31)33)17-9-11-20(12-10-17)34-19-7-4-3-5-8-19/h2-12,16,18H,13-15H2,1H3,(H2,26,27,28)/b6-2+/t18-/m1/s1
定義日:2016-10-19
最終更新日:2024-09-27
公開日:2017-05-24
識別子（ID）:6-azanyl-9-[(3~{R})-1-[(~{E})-but-2-enoyl]pyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one
O1K
O1K
表記:(5M)-5-(2,5-dichloropyrimidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine
組成式:C10 H5 Cl2 N5
SMILES:Clc1cnc(Cl)nc1n1ccc2ncncc21
InChi:InChI=1S/C10H5Cl2N5/c11-6-3-14-10(12)16-9(6)17-2-1-7-8(17)4-13-5-15-7/h1-5H
定義日:2022-04-15
最終更新日:2024-09-27
公開日:2022-07-06
識別子（ID）:(5M)-5-(2,5-dichloropyrimidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine
O1R
O1R
表記:(2M)-6-chloro-2-(5H-pyrrolo[3,2-d]pyrimidin-5-yl)pyridine-3-carbonitrile
組成式:C12 H6 Cl N5
SMILES:N#Cc1ccc(Cl)nc1n1ccc2ncncc21
InChi:InChI=1S/C12H6ClN5/c13-11-2-1-8(5-14)12(17-11)18-4-3-9-10(18)6-15-7-16-9/h1-4,6-7H
定義日:2022-04-15
最終更新日:2024-09-27
公開日:2022-07-06
識別子（ID）:(2M)-6-chloro-2-(5H-pyrrolo[3,2-d]pyrimidin-5-yl)pyridine-3-carbonitrile
O1Y
O1Y
表記:N-{3-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}pyrimidin-4-yl)amino]-1-(2-hydroxyethyl)-1H-pyrazol-4-yl}prop-2-enamide
組成式:C22 H24 Cl2 N8 O5
SMILES:c3(c(c(NC(N(c2cc(Nc1c(NC(/C=C)=O)cn(CCO)n1)ncn2)C)=O)c(Cl)c(c3)OC)Cl)OC
InChi:InChI=1S/C22H24Cl2N8O5/c1-5-17(34)27-12-10-32(6-7-33)30-21(12)28-15-9-16(26-11-25-15)31(2)22(35)29-20-18(23)13(36-3)8-14(37-4)19(20)24/h5,8-11,33H,1,6-7H2,2-4H3,(H,27,34)(H,29,35)(H,25,26,28,30)
定義日:2019-06-04
最終更新日:2024-09-27
公開日:2019-06-19
識別子（ID）:N-{3-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}pyrimidin-4-yl)amino]-1-(2-hydroxyethyl)-1H-pyrazol-4-yl}prop-2-enamide
O21
O21
表記:N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl][3-(4-methylpiperazin-1-yl)propyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide
組成式:C30 H36 Cl2 N8 O4
SMILES:C(CN1CCN(C)CC1)CN(C(Nc2c(c(OC)cc(c2Cl)OC)Cl)=O)c3ncnc(c3)Nc4ccccc4NC(=O)C=C
InChi:InChI=1S/C30H36Cl2N8O4/c1-5-26(41)36-21-10-7-6-9-20(21)35-24-18-25(34-19-33-24)40(12-8-11-39-15-13-38(2)14-16-39)30(42)37-29-27(31)22(43-3)17-23(44-4)28(29)32/h5-7,9-10,17-19H,1,8,11-16H2,2-4H3,(H,36,41)(H,37,42)(H,33,34,35)
定義日:2019-06-04
最終更新日:2024-09-27
公開日:2019-06-19
識別子（ID）:N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl][3-(4-methylpiperazin-1-yl)propyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide
7H4
7H4
表記:1-{(2S,5R)-2-methyl-5-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one
組成式:C15 H21 N5 O
SMILES:n3c2c(c(NC1CCC(C)N(C(=O)CC)C1)ncn2)cc3
InChi:InChI=1S/C15H21N5O/c1-3-13(21)20-8-11(5-4-10(20)2)19-15-12-6-7-16-14(12)17-9-18-15/h6-7,9-11H,3-5,8H2,1-2H3,(H2,16,17,18,19)/t10-,11+/m0/s1
定義日:2016-10-25
最終更新日:2024-09-27
公開日:2016-11-09
識別子（ID）:1-{(2S,5R)-2-methyl-5-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one
O2E
O2E
表記:(2~{S},3~{R})-2-[(2~{S},3~{R})-1-[(2~{R})-2-azanyl-3-oxidanylidene-propoxy]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid
組成式:C25 H32 N4 O9 S
SMILES:C[CH](O)[CH]([CH]1N=C([CH](S[CH]2CN[CH](C2)C(=O)Nc3cccc(c3)C(O)=O)[CH]1C)C(O)=O)C(=O)OC[CH](N)C=O
InChi:InChI=1S/C25H32N4O9S/c1-11-19(18(12(2)31)25(37)38-10-14(26)9-30)29-20(24(35)36)21(11)39-16-7-17(27-8-16)22(32)28-15-5-3-4-13(6-15)23(33)34/h3-6,9,11-12,14,16-19,21,27,31H,7-8,10,26H2,1-2H3,(H,28,32)(H,33,34)(H,35,36)/t11-,12-,14+,16+,17+,18-,19-,21+/m1/s1
定義日:2020-01-21
最終更新日:2024-09-27
公開日:2021-02-03
識別子（ID）:(2~{S},3~{R})-2-[(2~{S},3~{R})-1-[(2~{R})-2-azanyl-3-oxidanylidene-propoxy]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid

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件を2025-07-16に公開中

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