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0U7
0U7
表記:3-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride
組成式:C14 H7 Cl2 F N2 O3 S
SMILES:FS(=O)(=O)c3cccc(c1nnc(o1)c2cc(Cl)cc(Cl)c2)c3
InChi:InChI=1S/C14H7Cl2FN2O3S/c15-10-4-9(5-11(16)7-10)14-19-18-13(22-14)8-2-1-3-12(6-8)23(17,20)21/h1-7H
定義日:2012-06-15
最終更新日:2024-09-27
公開日:2013-02-15
識別子（ID）:3-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride
0UA
0UA
表記:3-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride
組成式:C14 H7 Cl2 F N2 O4 S
SMILES:FS(=O)(=O)c3cccc(c1nnc(o1)c2cc(Cl)c(O)c(Cl)c2)c3
InChi:InChI=1S/C14H7Cl2FN2O4S/c15-10-5-8(6-11(16)12(10)20)14-19-18-13(23-14)7-2-1-3-9(4-7)24(17,21)22/h1-6,20H
定義日:2012-06-15
最終更新日:2024-09-27
公開日:2013-02-15
識別子（ID）:3-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride
0UC
0UC
表記:4-bromo-3-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride
組成式:C14 H6 Br Cl2 F N2 O4 S
SMILES:FS(=O)(=O)c3ccc(Br)c(c1nnc(o1)c2cc(Cl)c(O)c(Cl)c2)c3
InChi:InChI=1S/C14H6BrCl2FN2O4S/c15-9-2-1-7(25(18,22)23)5-8(9)14-20-19-13(24-14)6-3-10(16)12(21)11(17)4-6/h1-5,21H
定義日:2012-06-15
最終更新日:2024-09-27
公開日:2013-02-15
識別子（ID）:4-bromo-3-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride
SBZ
SBZ
表記:[4-(1,3,2-DIOXABOROLAN-2-YLOXY)METHYL]BENZAMIDINE
組成式:C10 H14 B N2 O3
SMILES:O(B1OCCO1)Cc2ccc(C(=[NH2+])N)cc2
InChi:InChI=1S/C10H13BN2O3/c12-10(13)9-3-1-8(2-4-9)7-16-11-14-5-6-15-11/h1-4H,5-7H2,(H3,12,13)/p+1
定義日:2004-02-02
最終更新日:2024-09-27
識別子（ID）:amino{4-[(1,3,2-dioxaborolan-2-yloxy)methyl]phenyl}methaniminium
SC2
SC2
表記:N-ACETYL-L-CYSTEINE
組成式:C5 H9 N O3 S
SMILES:O=C(NC(C(=O)O)CS)C
InChi:InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1
別名:(2R)-2-acetamido-3-sulfanyl-propanoic acid
定義日:2006-08-11
最終更新日:2024-09-27
識別子（ID）:N-acetyl-L-cysteine
0UN
0UN
表記:N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide
組成式:C25 H27 Cl N6 O3
SMILES:O=C(C=C)Nc4cccc(Oc1nc(ncc1Cl)Nc2ccc(cc2OC)N3CCN(C)CC3)c4
InChi:InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30)
定義日:2009-08-06
最終更新日:2024-09-27
識別子（ID）:N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide
72F
72F
表記:N-[3-({6-[(2S)-2-cyano-3-(methylamino)-3-oxopropyl]-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethynyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
組成式:C31 H27 F3 N6 O3
SMILES:c4(C#Cc1c(ccc(c1)NC(=O)c2cccc(c2)C(F)(F)F)C)c3cncnc3n(CCOC)c4CC(C#N)C(=O)NC
InChi:InChI=1S/C31H27F3N6O3/c1-19-7-9-24(39-30(42)21-5-4-6-23(13-21)31(32,33)34)14-20(19)8-10-25-26-17-37-18-38-28(26)40(11-12-43-3)27(25)15-22(16-35)29(41)36-2/h4-7,9,13-14,17-18,22H,11-12,15H2,1-3H3,(H,36,41)(H,39,42)/t22-/m0/s1
別名:N-[3-({6-[(1E)-2-cyano-3-(methylamino)-3-oxoprop-1-en-1-yl]-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethynyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide inhibitor, bound form
定義日:2016-08-15
最終更新日:2024-09-27
公開日:2017-08-16
識別子（ID）:N-[3-({6-[(2S)-2-cyano-3-(methylamino)-3-oxopropyl]-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethynyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
SCH
SCH
表記:S-METHYL-THIO-CYSTEINE
組成式:C4 H9 N O2 S2
SMILES:O=C(O)C(N)CSSC
InChi:InChI=1S/C4H9NO2S2/c1-8-9-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:3-(methyldisulfanyl)-L-alanine
72R
72R
表記:5-fluoranyl-1~{H}-indole-2,3-dione
組成式:C8 H4 F N O2
SMILES:Fc1ccc2NC(=O)C(=O)c2c1
InChi:InChI=1S/C8H4FNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)
定義日:2016-08-18
最終更新日:2024-09-27
公開日:2018-08-29
識別子（ID）:5-fluoranyl-1~{H}-indole-2,3-dione
72S
72S
表記:7-methyl-1~{H}-indole-2,3-dione
組成式:C9 H7 N O2
SMILES:Cc1cccc2C(=O)C(=O)Nc12
InChi:InChI=1S/C9H7NO2/c1-5-3-2-4-6-7(5)10-9(12)8(6)11/h2-4H,1H3,(H,10,11,12)
定義日:2016-08-18
最終更新日:2024-09-27
公開日:2018-08-29
識別子（ID）:7-methyl-1~{H}-indole-2,3-dione
72T
72T
表記:7-(trifluoromethyl)-1~{H}-indole-2,3-dione
組成式:C9 H4 F3 N O2
SMILES:FC(F)(F)c1cccc2C(=O)C(=O)Nc12
InChi:InChI=1S/C9H4F3NO2/c10-9(11,12)5-3-1-2-4-6(5)13-8(15)7(4)14/h1-3H,(H,13,14,15)
定義日:2016-08-18
最終更新日:2024-09-27
公開日:2018-08-29
識別子（ID）:7-(trifluoromethyl)-1~{H}-indole-2,3-dione
72U
72U
表記:methyl 2,3-bis(oxidanylidene)-1~{H}-indole-7-carboxylate
組成式:C10 H7 N O4
SMILES:COC(=O)c1cccc2C(=O)C(=O)Nc12
InChi:InChI=1S/C10H7NO4/c1-15-10(14)6-4-2-3-5-7(6)11-9(13)8(5)12/h2-4H,1H3,(H,11,12,13)
定義日:2016-08-18
最終更新日:2024-09-27
公開日:2018-08-29
識別子（ID）:methyl 2,3-bis(oxidanylidene)-1~{H}-indole-7-carboxylate
72V
72V
表記:1-methylindole-2,3-dione
組成式:C9 H7 N O2
SMILES:CN1C(=O)C(=O)c2ccccc12
InChi:InChI=1S/C9H7NO2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5H,1H3
定義日:2016-08-18
最終更新日:2024-09-27
公開日:2017-03-15
識別子（ID）:1-methylindole-2,3-dione
SCN
SCN
表記:THIOCYANATE ION
組成式:C N S
SMILES:[S-]C#N
InChi:InChI=1S/CHNS/c2-1-3/h3H/p-1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:thiocyanate
SCS
SCS
表記:3-(ethyldisulfanyl)-L-alanine
組成式:C5 H11 N O2 S2
SMILES:O=C(O)C(N)CSSCC
InChi:InChI=1S/C5H11NO2S2/c1-2-9-10-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:3-(ethyldisulfanyl)-L-alanine
SCU
SCU
表記:N,N,N-TRIMETHYL-2-[(4-OXOBUTANOYL)OXY]ETHANAMINIUM
組成式:C9 H18 N O3
SMILES:O=CCCC(=O)OCC[N+](C)(C)C
InChi:InChI=1S/C9H18NO3/c1-10(2,3)6-8-13-9(12)5-4-7-11/h7H,4-6,8H2,1-3H3/q+1
別名:SUCCINYLMONOCHOLINE
定義日:2006-06-14
最終更新日:2024-09-27
識別子（ID）:N,N,N-trimethyl-2-[(4-oxobutanoyl)oxy]ethanaminium
737
737
表記:N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-2-{6-OXO-5-[(QUINOLIN-8-YLMETHYL)-AMINO]-2-M-TOLYL-6H-PYRIMIDIN-1-YL}-ACETAMIDE
組成式:C32 H33 N9 O3 S
SMILES:O=C(c1nccs1)C(NC(=O)CN4C(=NC=C(NCc3c2ncccc2ccc3)C4=O)c5cccc(c5)C)CCCNC(=[N@H])N
InChi:InChI=1S/C32H33N9O3S/c1-20-6-2-8-22(16-20)29-39-18-25(38-17-23-9-3-7-21-10-4-12-35-27(21)23)31(44)41(29)19-26(42)40-24(11-5-13-37-32(33)34)28(43)30-36-14-15-45-30/h2-4,6-10,12,14-16,18,24,38H,5,11,13,17,19H2,1H3,(H,40,42)(H4,33,34,37)/t24-/m0/s1
定義日:2005-07-27
最終更新日:2024-09-27
識別子（ID）:N-[(1S)-4-carbamimidamido-1-(1,3-thiazol-2-ylcarbonyl)butyl]-2-[2-(3-methylphenyl)-6-oxo-5-[(quinolin-8-ylmethyl)amino]pyrimidin-1(6H)-yl]acetamide
SCY
SCY
表記:S-ACETYL-CYSTEINE
組成式:C5 H9 N O3 S
SMILES:O=C(O)C(N)CSC(=O)C
InChi:InChI=1S/C5H9NO3S/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:S-acetyl-L-cysteine
SD0
SD0
表記:(S)-5-amino-2-(4-(2-amino-2-carboxyethyl)phenyl)-2-hydroxy-5-(hydroxymethyl)-1,3,2-dioxaborinan-2-uide
組成式:C13 H20 B N2 O6
SMILES:N[CH](Cc1ccc(cc1)[B-]2(O)OCC(N)(CO)CO2)C(O)=O
InChi:InChI=1S/C13H20BN2O6/c15-11(12(18)19)5-9-1-3-10(4-2-9)14(20)21-7-13(16,6-17)8-22-14/h1-4,11,17,20H,5-8,15-16H2,(H,18,19)/q-1/t11-,13-,14+/m0/s1
別名:(2~{S})-2-azanyl-3-[4-[5-azanyl-5-(hydroxymethyl)-2-$l^{3}-oxidanyl-1,3,2$l^{4}-dioxaborinan-2-yl]phenyl]propanal
定義日:2023-08-30
最終更新日:2024-09-27
公開日:2024-05-01
識別子（ID）:(2~{S})-2-azanyl-3-[4-[5-azanyl-5-(hydroxymethyl)-2-oxidanyl-1,3-dioxa-2-boranuidacyclohex-2-yl]phenyl]propanoic acid
73D
73D
表記:1-ethylindole-2,3-dione
組成式:C10 H9 N O2
SMILES:CCN1C(=O)C(=O)c2ccccc12
InChi:InChI=1S/C10H9NO2/c1-2-11-8-6-4-3-5-7(8)9(12)10(11)13/h3-6H,2H2,1H3
定義日:2016-08-19
最終更新日:2024-09-27
公開日:2018-08-29
識別子（ID）:1-ethylindole-2,3-dione
SD4
SD4
表記:N-hydroxy-L-asparagine
組成式:C4 H8 N2 O4
SMILES:N[CH](CC(=O)NO)C(O)=O
InChi:InChI=1S/C4H8N2O4/c5-2(4(8)9)1-3(7)6-10/h2,10H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
定義日:2012-03-01
最終更新日:2024-09-27
識別子（ID）:(2S)-2-azanyl-4-(oxidanylamino)-4-oxidanylidene-butanoic acid
73F
73F
表記:1-(2-phenylethyl)indole-2,3-dione
組成式:C16 H13 N O2
SMILES:O=C1N(CCc2ccccc2)c3ccccc3C1=O
InChi:InChI=1S/C16H13NO2/c18-15-13-8-4-5-9-14(13)17(16(15)19)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2
定義日:2016-08-19
最終更新日:2024-09-27
公開日:2018-08-29
識別子（ID）:1-(2-phenylethyl)indole-2,3-dione
SD6
SD6
表記:[(1~{R},2~{R})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
組成式:C25 H44 N3 O8 S
SMILES:CC(C)C[CH](NC(=O)OC[CH]1C[CH]1CC2CCCCC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S+](O)(O)=O
InChi:InChI=1S/C25H43N3O8S/c1-15(2)10-20(28-25(32)36-14-19-12-18(19)11-16-6-4-3-5-7-16)23(30)27-21(24(31)37(33,34)35)13-17-8-9-26-22(17)29/h15-21,24,31H,3-14H2,1-2H3,(H4-,26,27,28,29,30,32,33,34,35)/p+1/t17-,18+,19-,20-,21-,24+/m0/s1
定義日:2022-06-29
最終更新日:2024-09-27
公開日:2022-07-06
識別子（ID）:[(1~{R},2~{R})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
73G
73G
表記:butyl 2-[2,3-bis(oxidanylidene)indol-1-yl]ethanoate
組成式:C14 H15 N O4
SMILES:CCCCOC(=O)CN1C(=O)C(=O)c2ccccc12
InChi:InChI=1S/C14H15NO4/c1-2-3-8-19-12(16)9-15-11-7-5-4-6-10(11)13(17)14(15)18/h4-7H,2-3,8-9H2,1H3
定義日:2016-08-19
最終更新日:2024-09-27
公開日:2018-08-29
識別子（ID）:butyl 2-[2,3-bis(oxidanylidene)indol-1-yl]ethanoate
73H
73H
表記:5-fluoranyl-1-(2-phenylethyl)indole-2,3-dione
組成式:C16 H12 F N O2
SMILES:Fc1ccc2N(CCc3ccccc3)C(=O)C(=O)c2c1
InChi:InChI=1S/C16H12FNO2/c17-12-6-7-14-13(10-12)15(19)16(20)18(14)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2
定義日:2016-08-19
最終更新日:2024-09-27
公開日:2018-08-29
識別子（ID）:5-fluoranyl-1-(2-phenylethyl)indole-2,3-dione

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