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UL1
UL1
表記:(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
組成式:C12 H11 N O3 S2
SMILES:COc2ccc([C@H]=C1C(=O)NC(=S)S1)cc2OC
InChi:InChI=1S/C12H11NO3S2/c1-15-8-4-3-7(5-9(8)16-2)6-10-11(14)13-12(17)18-10/h3-6H,1-2H3,(H,13,14,17)/b10-6-
定義日:2020-05-20
最終更新日:2020-06-05
公開日:2020-06-10
識別子（ID）:(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
UQJ
UQJ
表記:3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide
組成式:C6 H7 F2 N3 O
SMILES:NC(=O)c1c(C(F)F)nn(c1)C
InChi:InChI=1S/C6H7F2N3O/c1-11-2-3(6(9)12)4(10-11)5(7)8/h2,5H,1H3,(H2,9,12)
定義日:2020-05-27
最終更新日:2020-06-05
公開日:2020-06-10
識別子（ID）:3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide
UQS
UQS
表記:N-[(2-fluorophenyl)methyl]-1H-pyrazol-4-amine
組成式:C10 H10 F N3
SMILES:n2ncc(NCc1ccccc1F)c2
InChi:InChI=1S/C10H10FN3/c11-10-4-2-1-3-8(10)5-12-9-6-13-14-7-9/h1-4,6-7,12H,5H2,(H,13,14)
定義日:2020-05-27
最終更新日:2020-06-05
公開日:2020-06-10
識別子（ID）:N-[(2-fluorophenyl)methyl]-1H-pyrazol-4-amine
UQY
UQY
表記:1-(methylamino)cyclopentane-1-carboxamide
組成式:C7 H14 N2 O
SMILES:NC(=O)C1(CCCC1)NC
InChi:InChI=1S/C7H14N2O/c1-9-7(6(8)10)4-2-3-5-7/h9H,2-5H2,1H3,(H2,8,10)
定義日:2020-05-27
最終更新日:2020-06-05
公開日:2020-06-10
識別子（ID）:1-(methylamino)cyclopentane-1-carboxamide
UR1
UR1
表記:3-fluoro-5-methylbenzene-1-sulfonamide
組成式:C7 H8 F N O2 S
SMILES:c1c(S(N)(=O)=O)cc(C)cc1F
InChi:InChI=1S/C7H8FNO2S/c1-5-2-6(8)4-7(3-5)12(9,10)11/h2-4H,1H3,(H2,9,10,11)
定義日:2020-05-27
最終更新日:2020-06-05
公開日:2020-06-10
識別子（ID）:3-fluoro-5-methylbenzene-1-sulfonamide
UR4
UR4
表記:2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
組成式:C12 H12 N2 O2 S
SMILES:n1c(csc1NC(COC)=O)c2ccccc2
InChi:InChI=1S/C12H12N2O2S/c1-16-7-11(15)14-12-13-10(8-17-12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,13,14,15)
定義日:2020-05-27
最終更新日:2020-06-05
公開日:2020-06-10
識別子（ID）:2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
UR7
UR7
表記:1-(3-fluoro-4-methylphenyl)methanesulfonamide
組成式:C8 H10 F N O2 S
SMILES:c1(cc(F)c(C)cc1)CS(N)(=O)=O
InChi:InChI=1S/C8H10FNO2S/c1-6-2-3-7(4-8(6)9)5-13(10,11)12/h2-4H,5H2,1H3,(H2,10,11,12)
定義日:2020-05-27
最終更新日:2020-06-05
公開日:2020-06-10
識別子（ID）:1-(3-fluoro-4-methylphenyl)methanesulfonamide
US7
US7
表記:1-[4-(methylsulfonyl)phenyl]piperazine
組成式:C11 H16 N2 O2 S
SMILES:N2CCN(c1ccc(S(=O)(C)=O)cc1)CC2
InChi:InChI=1S/C11H16N2O2S/c1-16(14,15)11-4-2-10(3-5-11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
定義日:2020-05-28
最終更新日:2020-06-05
公開日:2020-06-10
識別子（ID）:1-[4-(methylsulfonyl)phenyl]piperazine
USJ
USJ
表記:(1S,3S)-2-methyl-2,3-dihydro-1H-isoindole-1,3-diol
組成式:C9 H11 N O2
SMILES:c1cc2c(cc1)C(N(C2O)C)O
InChi:InChI=1S/C9H11NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5,8-9,11-12H,1H3/t8-,9-/m0/s1
定義日:2020-05-29
最終更新日:2020-06-05
公開日:2020-06-10
識別子（ID）:(1S,3S)-2-methyl-2,3-dihydro-1H-isoindole-1,3-diol
USP
USP
表記:(2R)-6-amino-3-methyl-2,3-dihydro-1,3-benzoxazol-2-ol
組成式:C8 H10 N2 O2
SMILES:c1(ccc2c(c1)OC(O)N2C)N
InChi:InChI=1S/C8H10N2O2/c1-10-6-3-2-5(9)4-7(6)12-8(10)11/h2-4,8,11H,9H2,1H3/t8-/m1/s1
定義日:2020-05-29
最終更新日:2020-06-05
公開日:2020-06-10
識別子（ID）:(2R)-6-amino-3-methyl-2,3-dihydro-1,3-benzoxazol-2-ol
L5K
L5K
表記:~{N}-[3-[(7-nitrodibenzofuran-2-yl)sulfonylamino]phenyl]-1-oxidanyl-cyclopropane-1-carboxamide
組成式:C22 H17 N3 O7 S
SMILES:OC1(CC1)C(=O)Nc2cccc(N[S](=O)(=O)c3ccc4oc5cc(ccc5c4c3)[N+]([O-])=O)c2
InChi:InChI=1S/C22H17N3O7S/c26-21(22(27)8-9-22)23-13-2-1-3-14(10-13)24-33(30,31)16-5-7-19-18(12-16)17-6-4-15(25(28)29)11-20(17)32-19/h1-7,10-12,24,27H,8-9H2,(H,23,26)
定義日:2019-07-22
最終更新日:2020-06-05
公開日:2020-06-10
識別子（ID）:~{N}-[3-[(7-nitrodibenzofuran-2-yl)sulfonylamino]phenyl]-1-oxidanyl-cyclopropane-1-carboxamide
L5N
L5N
表記:4-[[4-[(5-chloranylthiophen-2-yl)carbonylamino]-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]benzoic acid
組成式:C21 H13 Cl N2 O5 S
SMILES:OC(=O)c1ccc(CN2C(=O)c3cccc(NC(=O)c4sc(Cl)cc4)c3C2=O)cc1
InChi:InChI=1S/C21H13ClN2O5S/c22-16-9-8-15(30-16)18(25)23-14-3-1-2-13-17(14)20(27)24(19(13)26)10-11-4-6-12(7-5-11)21(28)29/h1-9H,10H2,(H,23,25)(H,28,29)
定義日:2019-07-22
最終更新日:2020-06-05
公開日:2020-06-10
識別子（ID）:4-[[4-[(5-chloranylthiophen-2-yl)carbonylamino]-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]benzoic acid
L8N
L8N
表記:phenyl-(4-sulfamoylphenoxy)phosphinic acid
組成式:C12 H12 N O5 P S
SMILES:N[S](=O)(=O)c1ccc(O[P](O)(=O)c2ccccc2)cc1
InChi:InChI=1S/C12H12NO5PS/c13-20(16,17)12-8-6-10(7-9-12)18-19(14,15)11-4-2-1-3-5-11/h1-9H,(H,14,15)(H2,13,16,17)
定義日:2019-07-29
最終更新日:2020-06-05
公開日:2020-06-10
識別子（ID）:phenyl-(4-sulfamoylphenoxy)phosphinic acid
VSK
VSK
表記:(2~{S})-2-azanyl-3-(1~{H}-indol-3-yl)-~{N}-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
組成式:C22 H27 N3 O
SMILES:Cc1cc(C)c(CCNC(=O)[CH](N)Cc2c[nH]c3ccccc23)c(C)c1
InChi:InChI=1S/C22H27N3O/c1-14-10-15(2)18(16(3)11-14)8-9-24-22(26)20(23)12-17-13-25-21-7-5-4-6-19(17)21/h4-7,10-11,13,20,25H,8-9,12,23H2,1-3H3,(H,24,26)/t20-/m0/s1
別名:VSK-B24
定義日:2017-07-21
最終更新日:2020-06-05
公開日:2018-09-12
識別子（ID）:(2~{S})-2-azanyl-3-(1~{H}-indol-3-yl)-~{N}-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
PJW
PJW
表記:benzo[b][1]benziodole
組成式:C12 H8 I
SMILES:[I]1c2ccccc2c3ccccc13
InChi:InChI=1S/C12H9I/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H
定義日:2020-04-23
最終更新日:2020-06-05
公開日:2020-06-10
識別子（ID）:benzo[b][1]benziodole
P1W
P1W
表記:3-methylbut-2-en-1-ol
組成式:C5 H10 O
SMILES:CC(C)=CCO
InChi:InChI=1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3
定義日:2020-04-14
最終更新日:2020-06-05
公開日:2020-06-10
識別子（ID）:3-methylbut-2-en-1-ol
CKU
CKU
表記:(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)-1-propyl-piperidine-3-carboxylic acid
組成式:C9 H17 N O4
SMILES:CCCN1C[CH](O)[CH](O)[CH](C1)C(O)=O
InChi:InChI=1S/C9H17NO4/c1-2-3-10-4-6(9(13)14)8(12)7(11)5-10/h6-8,11-12H,2-5H2,1H3,(H,13,14)/t6-,7+,8+/m0/s1
定義日:2019-05-09
最終更新日:2020-06-05
公開日:2020-06-10
識別子（ID）:(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)-1-propyl-piperidine-3-carboxylic acid
CKX
CKX
表記:(2~{S},3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)-2-propyl-piperidine-3-carboxylic acid
組成式:C9 H17 N O4
SMILES:CCC[CH]1NC[CH](O)[CH](O)[CH]1C(O)=O
InChi:InChI=1S/C9H17NO4/c1-2-3-5-7(9(13)14)8(12)6(11)4-10-5/h5-8,10-12H,2-4H2,1H3,(H,13,14)/t5-,6+,7-,8-/m0/s1
定義日:2019-05-09
最終更新日:2020-06-05
公開日:2020-06-10
識別子（ID）:(2~{S},3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)-2-propyl-piperidine-3-carboxylic acid
SWP
SWP
表記:methyl ((10R,14S)-14-(4-(3-chloro-2,6-difluorophenyl)-6-oxo-3,6-dihydro- 1(2h)-pyridinyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.0~2,7~]nonadeca- 1(19),2,4,6,15,17-hexaen-5-yl)carbamate
組成式:C31 H29 Cl F2 N4 O4
SMILES:COC(=O)Nc1ccc2c(NC(=O)[CH](C)CCC[CH](N3CCC(=CC3=O)c4c(F)ccc(Cl)c4F)c5cc2ccn5)c1
InChi:InChI=1S/C31H29ClF2N4O4/c1-17-4-3-5-26(38-13-11-19(15-27(38)39)28-23(33)9-8-22(32)29(28)34)25-14-18(10-12-35-25)21-7-6-20(36-31(41)42-2)16-24(21)37-30(17)40/h6-10,12,14-17,26H,3-5,11,13H2,1-2H3,(H,36,41)(H,37,40)/t17-,26+/m1/s1
定義日:2020-03-12
最終更新日:2020-06-05
公開日:2020-06-10
識別子（ID）:methyl ~{N}-[(10~{R},14~{S})-14-[4-[3-chloranyl-2,6-bis(fluoranyl)phenyl]-6-oxidanylidene-2,3-dihydropyridin-1-yl]-10-methyl-9-oxidanylidene-8,16-diazatricyclo[13.3.1.0^{2,7}]nonadeca-1(18),2,4,6,15(19),16-hexaen-5-yl]carbamate
EUL
EUL
表記:2-bromanyl-N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)benzamide
組成式:C17 H14 Br N3 O S
SMILES:Brc1ccccc1C(=O)Nc2ncnc3sc4CCCCc4c23
InChi:InChI=1S/C17H14BrN3OS/c18-12-7-3-1-5-10(12)16(22)21-15-14-11-6-2-4-8-13(11)23-17(14)20-9-19-15/h1,3,5,7,9H,2,4,6,8H2,(H,19,20,21,22)
定義日:2020-01-28
最終更新日:2020-06-05
公開日:2020-06-10
識別子（ID）:2-bromanyl-~{N}-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)benzamide
EYO
EYO
表記:1,4,7,10,13-pentaoxacyclopentadecane
組成式:C10 H20 O5
SMILES:C1COCCOCCOCCOCCO1
InChi:InChI=1S/C10H20O5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1/h1-10H2
定義日:2020-02-21
最終更新日:2020-06-05
公開日:2020-06-10
識別子（ID）:1,4,7,10,13-pentaoxacyclopentadecane
OBC
OBC
表記:2-fluorophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
組成式:C24 H19 F O6 S
SMILES:O=S(=O)(Oc1ccccc1F)C2CC5OC2C(c3ccc(O)cc3)=C5c4ccc(O)cc4
InChi:InChI=1S/C24H19FO6S/c25-18-3-1-2-4-19(18)31-32(28,29)21-13-20-22(14-5-9-16(26)10-6-14)23(24(21)30-20)15-7-11-17(27)12-8-15/h1-12,20-21,24,26-27H,13H2/t20-,21+,24+/m0/s1
定義日:2015-05-07
最終更新日:2020-06-01
公開日:2016-05-04
識別子（ID）:2-fluorophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
OBH
OBH
表記:cyclohexa-2,5-dien-1-yl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
組成式:C24 H22 O6 S
SMILES:c1cc(O)ccc1C3=C(c2ccc(O)cc2)C4OC3CC4S(=O)(=O)OC5C=CCC=C5
InChi:InChI=1S/C24H22O6S/c25-17-10-6-15(7-11-17)22-20-14-21(31(27,28)30-19-4-2-1-3-5-19)24(29-20)23(22)16-8-12-18(26)13-9-16/h2-13,19-21,24-26H,1,14H2/t20-,21+,24+/m0/s1
定義日:2015-05-05
最終更新日:2020-06-01
公開日:2015-09-09
識別子（ID）:cyclohexa-2,5-dien-1-yl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
GNJ
GNJ
表記:4-hydroxy-8-sulfoquinoline-3-carboxylic acid
組成式:C10 H7 N O6 S
SMILES:c1c(c2ncc(c(c2cc1)O)C(=O)O)S(O)(=O)=O
InChi:InChI=1S/C10H7NO6S/c12-9-5-2-1-3-7(18(15,16)17)8(5)11-4-6(9)10(13)14/h1-4H,(H,11,12)(H,13,14)(H,15,16,17)
定義日:2018-05-30
最終更新日:2020-06-01
公開日:2019-05-29
識別子（ID）:4-hydroxy-8-sulfoquinoline-3-carboxylic acid
0TM
0TM
表記:2-{[4-(2-chloro-4,5-dimethoxyphenyl)-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl}-N,N-dimethylacetamide
組成式:C19 H18 Cl N5 O3 S
SMILES:Clc3cc(OC)c(OC)cc3c1nc(nc2c1c(C#N)cn2)SCC(=O)N(C)C
InChi:InChI=1S/C19H18ClN5O3S/c1-25(2)15(26)9-29-19-23-17(16-10(7-21)8-22-18(16)24-19)11-5-13(27-3)14(28-4)6-12(11)20/h5-6,8H,9H2,1-4H3,(H,22,23,24)
定義日:2012-06-07
最終更新日:2020-06-01
公開日:2012-10-19
識別子（ID）:2-{[4-(2-chloro-4,5-dimethoxyphenyl)-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl}-N,N-dimethylacetamide

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