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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
NF8
NF8
表記:(2~{R},3~{S},4~{S},5~{S})-5-fluoranyl-2-(hydroxymethyl)oxane-3,4-diol
組成式:C6 H11 F O4
SMILES:OC[CH]1OC[CH](F)[CH](O)[CH]1O
InChi:InChI=1S/C6H11FO4/c7-3-2-11-4(1-8)6(10)5(3)9/h3-6,8-10H,1-2H2/t3-,4+,5+,6+/m0/s1
定義日:2019-11-27
最終更新日:2020-06-05
公開日:2020-06-10
識別子（ID）:(2~{R},3~{S},4~{S},5~{S})-5-fluoranyl-2-(hydroxymethyl)oxane-3,4-diol
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
NTQ
NTQ
表記:(1~{S})-2,2-bis(fluoranyl)-~{N}-[4-(3-methyl-6-oxidanylidene-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]cyclopropane-1-carboxamide
組成式:C17 H20 F2 N4 O2
SMILES:Cc1[nH]nc2NC(=O)C=C([CH]3CC[CH](CC3)NC(=O)[CH]4CC4(F)F)c12
InChi:InChI=1S/C17H20F2N4O2/c1-8-14-11(6-13(24)21-15(14)23-22-8)9-2-4-10(5-3-9)20-16(25)12-7-17(12,18)19/h6,9-10,12H,2-5,7H2,1H3,(H,20,25)(H2,21,22,23,24)/t9-,10-,12-/m0/s1
定義日:2019-12-13
最終更新日:2020-06-05
公開日:2020-06-10
識別子（ID）:(1~{S})-2,2-bis(fluoranyl)-~{N}-[4-(3-methyl-6-oxidanylidene-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]cyclopropane-1-carboxamide
NTW
NTW
表記:2-[4-(3-methyl-6-oxidanylidene-1,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]ethanenitrile
組成式:C15 H18 N4 O
SMILES:Cc1n[nH]c2NC(=O)C=C([CH]3CC[CH](CC3)CC#N)c12
InChi:InChI=1S/C15H18N4O/c1-9-14-12(8-13(20)17-15(14)19-18-9)11-4-2-10(3-5-11)6-7-16/h8,10-11H,2-6H2,1H3,(H2,17,18,19,20)/t10-,11-
定義日:2019-12-13
最終更新日:2020-06-05
公開日:2020-06-10
識別子（ID）:2-[4-(3-methyl-6-oxidanylidene-1,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]ethanenitrile
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
USA
USA
表記:(E)-1-(1H-imidazol-2-yl)methanimine
組成式:C4 H5 N3
SMILES:n1ccnc1/C=N
InChi:InChI=1S/C4H5N3/c5-3-4-6-1-2-7-4/h1-3,5H,(H,6,7)/b5-3+
定義日:2020-05-28
最終更新日:2020-06-05
公開日:2020-06-10
識別子（ID）:(E)-1-(1H-imidazol-2-yl)methanimine
USD
USD
表記:(E)-1-(pyrimidin-2-yl)methanimine
組成式:C5 H5 N3
SMILES:n1cccnc1/C=N
InChi:InChI=1S/C5H5N3/c6-4-5-7-2-1-3-8-5/h1-4,6H/b6-4+
定義日:2020-05-28
最終更新日:2020-06-05
公開日:2020-06-10
識別子（ID）:(E)-1-(pyrimidin-2-yl)methanimine
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
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
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
UKV
UKV
表記:(5Z)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
組成式:C11 H9 N O2 S2
SMILES:COc2cccc([C@H]=C1C(NC(S1)=S)=O)c2
InChi:InChI=1S/C11H9NO2S2/c1-14-8-4-2-3-7(5-8)6-9-10(13)12-11(15)16-9/h2-6H,1H3,(H,12,13,15)/b9-6-
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-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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
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
N9T
N9T
表記:(1~{R},3~{S})-~{N}-(6,7-dimethoxy-2-oxidanylidene-chromen-3-yl)-3-[(phenylmethyl)amino]cyclohexane-1-carboxamide
組成式:C25 H28 N2 O5
SMILES:COc1cc2OC(=O)C(=Cc2cc1OC)NC(=O)[CH]3CCC[CH](C3)NCc4ccccc4
InChi:InChI=1S/C25H28N2O5/c1-30-22-13-18-12-20(25(29)32-21(18)14-23(22)31-2)27-24(28)17-9-6-10-19(11-17)26-15-16-7-4-3-5-8-16/h3-5,7-8,12-14,17,19,26H,6,9-11,15H2,1-2H3,(H,27,28)/t17-,19+/m1/s1
定義日:2019-11-21
最終更新日:2020-06-05
公開日:2020-06-10
識別子（ID）:(1~{R},3~{S})-~{N}-(6,7-dimethoxy-2-oxidanylidene-chromen-3-yl)-3-[(phenylmethyl)amino]cyclohexane-1-carboxamide
QZ8
QZ8
表記:3-methyl-4-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one
組成式:C13 H11 N3 O
SMILES:Cc1[nH]nc2NC(=O)C=C(c3ccccc3)c12
InChi:InChI=1S/C13H11N3O/c1-8-12-10(9-5-3-2-4-6-9)7-11(17)14-13(12)16-15-8/h2-7H,1H3,(H2,14,15,16,17)
定義日:2019-12-13
最終更新日:2020-06-05
公開日:2020-06-10
識別子（ID）:3-methyl-4-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one
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
TJ1
TJ1
表記:3-(propan-2-yl)-1,2,4-oxadiazol-5(4H)-one
組成式:C5 H8 N2 O2
SMILES:C1(=O)NC(=NO1)C(C)C
InChi:InChI=1S/C5H8N2O2/c1-3(2)4-6-5(8)9-7-4/h3H,1-2H3,(H,6,7,8)
定義日:2020-03-20
最終更新日:2020-06-05
公開日:2020-06-10
識別子（ID）:3-(propan-2-yl)-1,2,4-oxadiazol-5(4H)-one
TJV
TJV
表記:1,3-benzodioxole-5-carbothioamide
組成式:C8 H7 N O2 S
SMILES:c2c1OCOc1ccc2C(N)=S
InChi:InChI=1S/C8H7NO2S/c9-8(12)5-1-2-6-7(3-5)11-4-10-6/h1-3H,4H2,(H2,9,12)
定義日:2020-03-23
最終更新日:2020-06-05
公開日:2020-06-10
識別子（ID）:2H-1,3-benzodioxole-5-carbothioamide
QD7
QD7
表記:(R)-(3-aminopropyl)methylphosphinic acid
組成式:C4 H12 N O2 P
SMILES:C(CCP(C)(O)=O)N
InChi:InChI=1S/C4H12NO2P/c1-8(6,7)4-2-3-5/h2-5H2,1H3,(H,6,7)
定義日:2019-10-16
最終更新日:2020-06-05
公開日:2020-06-10
識別子（ID）:(R)-(3-aminopropyl)methylphosphinic acid
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

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