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W0M
W0M
表記:(2R)-2-(4-chlorophenoxy)propanamide
組成式:C9 H10 Cl N O2
SMILES:c1cc(ccc1Cl)OC(C(=O)N)C
InChi:InChI=1S/C9H10ClNO2/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H2,11,12)/t6-/m1/s1
定義日:2020-09-24
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:(2R)-2-(4-chlorophenoxy)propanamide
WGM
WGM
表記:(3S)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol
組成式:C11 H15 F N2 O
SMILES:n1cccc(c1N2CC(O)C(C)(C2)C)F
InChi:InChI=1S/C11H15FN2O/c1-11(2)7-14(6-9(11)15)10-8(12)4-3-5-13-10/h3-5,9,15H,6-7H2,1-2H3/t9-/m1/s1
定義日:2020-10-30
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:(3S)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol
WGP
WGP
表記:N,N-dimethyl-N~2~-phenylglycinamide
組成式:C10 H14 N2 O
SMILES:N(CC(N(C)C)=O)c1ccccc1
InChi:InChI=1S/C10H14N2O/c1-12(2)10(13)8-11-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3
定義日:2020-10-30
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:N,N-dimethyl-N~2~-phenylglycinamide
WGS
WGS
表記:3-fluoro-N-[(oxan-4-yl)methyl]pyridin-2-amine
組成式:C11 H15 F N2 O
SMILES:N(c1c(F)cccn1)CC2CCOCC2
InChi:InChI=1S/C11H15FN2O/c12-10-2-1-5-13-11(10)14-8-9-3-6-15-7-4-9/h1-2,5,9H,3-4,6-8H2,(H,13,14)
定義日:2020-10-30
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:3-fluoro-N-[(oxan-4-yl)methyl]pyridin-2-amine
WGV
WGV
表記:1-(3-phenylprop-2-yn-1-yl)piperidine
組成式:C14 H17 N
SMILES:c1ccccc1C#CCN2CCCCC2
InChi:InChI=1S/C14H17N/c1-3-8-14(9-4-1)10-7-13-15-11-5-2-6-12-15/h1,3-4,8-9H,2,5-6,11-13H2
定義日:2020-10-30
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:1-(3-phenylprop-2-yn-1-yl)piperidine
WH1
WH1
表記:N-methyl-N-[2-(pyridin-2-yl)ethyl]benzamide
組成式:C15 H16 N2 O
SMILES:n1c(cccc1)CCN(C(=O)c2ccccc2)C
InChi:InChI=1S/C15H16N2O/c1-17(12-10-14-9-5-6-11-16-14)15(18)13-7-3-2-4-8-13/h2-9,11H,10,12H2,1H3
定義日:2020-10-30
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:N-methyl-N-[2-(pyridin-2-yl)ethyl]benzamide
WH4
WH4
表記:N-(propan-2-yl)pyridin-3-amine
組成式:C8 H12 N2
SMILES:n1cc(ccc1)NC(C)C
InChi:InChI=1S/C8H12N2/c1-7(2)10-8-4-3-5-9-6-8/h3-7,10H,1-2H3
定義日:2020-10-30
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:N-(propan-2-yl)pyridin-3-amine
WH7
WH7
表記:(2R)-1-{[(2,6-dichlorophenyl)methyl]amino}propan-2-ol
組成式:C10 H13 Cl2 N O
SMILES:c1(c(cccc1Cl)Cl)CNCC(C)O
InChi:InChI=1S/C10H13Cl2NO/c1-7(14)5-13-6-8-9(11)3-2-4-10(8)12/h2-4,7,13-14H,5-6H2,1H3/t7-/m1/s1
定義日:2020-10-30
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:(2R)-1-{[(2,6-dichlorophenyl)methyl]amino}propan-2-ol
WHD
WHD
表記:4-({[(4-fluorophenyl)methyl]amino}methyl)benzonitrile
組成式:C15 H13 F N2
SMILES:N#Cc2ccc(CNCc1ccc(cc1)F)cc2
InChi:InChI=1S/C15H13FN2/c16-15-7-5-14(6-8-15)11-18-10-13-3-1-12(9-17)2-4-13/h1-8,18H,10-11H2
定義日:2020-10-30
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:4-({[(4-fluorophenyl)methyl]amino}methyl)benzonitrile
WHP
WHP
表記:N-[(1R)-1-(2-chlorophenyl)ethyl]methanesulfonamide
組成式:C9 H12 Cl N O2 S
SMILES:c1cccc(Cl)c1C(NS(=O)(C)=O)C
InChi:InChI=1S/C9H12ClNO2S/c1-7(11-14(2,12)13)8-5-3-4-6-9(8)10/h3-7,11H,1-2H3/t7-/m1/s1
定義日:2020-10-30
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:N-[(1R)-1-(2-chlorophenyl)ethyl]methanesulfonamide
WHS
WHS
表記:4-methyl-N-{[(2R)-oxolan-2-yl]methyl}-1,3-thiazol-2-amine
組成式:C9 H14 N2 O S
SMILES:n1c(C)csc1NCC2CCCO2
InChi:InChI=1S/C9H14N2OS/c1-7-6-13-9(11-7)10-5-8-3-2-4-12-8/h6,8H,2-5H2,1H3,(H,10,11)/t8-/m1/s1
定義日:2020-10-30
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:4-methyl-N-{[(2R)-oxolan-2-yl]methyl}-1,3-thiazol-2-amine
WHV
WHV
表記:(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethan-1-amine
組成式:C8 H14 N2 S
SMILES:n1c(C)c(C(NC)C)sc1C
InChi:InChI=1S/C8H14N2S/c1-5(9-4)8-6(2)10-7(3)11-8/h5,9H,1-4H3/t5-/m0/s1
定義日:2020-10-30
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethan-1-amine
WHY
WHY
表記:4-[(dimethylamino)methyl]benzonitrile
組成式:C10 H12 N2
SMILES:N#Cc1ccc(CN(C)C)cc1
InChi:InChI=1S/C10H12N2/c1-12(2)8-10-5-3-9(7-11)4-6-10/h3-6H,8H2,1-2H3
定義日:2020-10-30
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:4-[(dimethylamino)methyl]benzonitrile
WJ4
WJ4
表記:4-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]morpholine
組成式:C7 H10 Cl N3 O S
SMILES:n1c(c(Cl)sn1)CN2CCOCC2
InChi:InChI=1S/C7H10ClN3OS/c8-7-6(9-10-13-7)5-11-1-3-12-4-2-11/h1-5H2
定義日:2020-10-30
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:4-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]morpholine
WJ7
WJ7
表記:2-bromo-4-fluoro-N,N-dimethylbenzamide
組成式:C9 H9 Br F N O
SMILES:c1cc(cc(Br)c1C(N(C)C)=O)F
InChi:InChI=1S/C9H9BrFNO/c1-12(2)9(13)7-4-3-6(11)5-8(7)10/h3-5H,1-2H3
定義日:2020-10-30
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:2-bromo-4-fluoro-N,N-dimethylbenzamide
WJA
WJA
表記:N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
組成式:C6 H10 N2 O3 S
SMILES:n1c(CS(NC)(=O)=O)cc(o1)C
InChi:InChI=1S/C6H10N2O3S/c1-5-3-6(8-11-5)4-12(9,10)7-2/h3,7H,4H2,1-2H3
定義日:2020-10-30
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
WJG
WJG
表記:(S)-1-(4-methoxyphenyl)-1-phenylmethanamine
組成式:C14 H15 N O
SMILES:c2(C(N)c1ccccc1)ccc(OC)cc2
InChi:InChI=1S/C14H15NO/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-10,14H,15H2,1H3
定義日:2020-10-30
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:(S)-1-(4-methoxyphenyl)-1-phenylmethanamine
WJJ
WJJ
表記:(2R)-3-(4-bromophenyl)-2-methylpropanamide
組成式:C10 H12 Br N O
SMILES:c1cc(ccc1CC(C)C(N)=O)Br
InChi:InChI=1S/C10H12BrNO/c1-7(10(12)13)6-8-2-4-9(11)5-3-8/h2-5,7H,6H2,1H3,(H2,12,13)/t7-/m1/s1
定義日:2020-10-30
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:(2R)-3-(4-bromophenyl)-2-methylpropanamide
WJM
WJM
表記:2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
組成式:C11 H15 N3 O3
SMILES:N1(CCN(CC1)C(=O)c2ccco2)CC(N)=O
InChi:InChI=1S/C11H15N3O3/c12-10(15)8-13-3-5-14(6-4-13)11(16)9-2-1-7-17-9/h1-2,7H,3-6,8H2,(H2,12,15)
定義日:2020-10-30
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
WJS
WJS
表記:(2~{S})-2-$l^{4}-azanyl-3-[[(2~{R})-3-octadecanoyloxy-2-oxidanyl-propoxy]-oxidanyl-oxidanylidene-$l^{6}-phosphanyl]oxy-propanoic acid
組成式:C24 H20 N O9 P
SMILES:[C][C][C][C][C][C][C][C][CH][CH][CH][CH][CH][C][C][C][C]C(=O)OC[CH](O)CO[PH](O)(=O)OC[CH]([NH3])C(O)=O
InChi:InChI=1S/C24H50NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)32-18-21(26)19-33-35(30,31)34-20-22(25)24(28)29/h21-22,26,35H,2-20H2,1,25H3,(H,28,29)(H,30,31)/t21-,22+/m1/s1
定義日:2020-10-30
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:(2~{S})-2-$l^{4}-azanyl-3-[[(2~{R})-3-octadecanoyloxy-2-oxidanyl-propoxy]-oxidanyl-oxidanylidene-$l^{6}-phosphanyl]oxy-propanoic acid
WK4
WK4
表記:2-(1H-imidazol-1-yl)ethyl dimethylcarbamate
組成式:C8 H13 N3 O2
SMILES:c1cncn1CCOC(=O)N(C)C
InChi:InChI=1S/C8H13N3O2/c1-10(2)8(12)13-6-5-11-4-3-9-7-11/h3-4,7H,5-6H2,1-2H3
定義日:2020-10-30
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:2-(1H-imidazol-1-yl)ethyl dimethylcarbamate
WK7
WK7
表記:3-fluoro-4-(piperazin-1-yl)benzonitrile
組成式:C11 H12 F N3
SMILES:C2N(c1c(F)cc(C#N)cc1)CCNC2
InChi:InChI=1S/C11H12FN3/c12-10-7-9(8-13)1-2-11(10)15-5-3-14-4-6-15/h1-2,7,14H,3-6H2
定義日:2020-10-30
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:3-fluoro-4-(piperazin-1-yl)benzonitrile
WKA
WKA
表記:N-(2,1,3-benzoxadiazol-4-yl)acetamide
組成式:C8 H7 N3 O2
SMILES:n2c1c(NC(C)=O)cccc1no2
InChi:InChI=1S/C8H7N3O2/c1-5(12)9-6-3-2-4-7-8(6)11-13-10-7/h2-4H,1H3,(H,9,12)
定義日:2020-10-30
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:N-(2,1,3-benzoxadiazol-4-yl)acetamide
WKD
WKD
表記:(2R)-2-(4-cyanophenoxy)propanamide
組成式:C10 H10 N2 O2
SMILES:c1cc(OC(C)C(N)=O)ccc1C#N
InChi:InChI=1S/C10H10N2O2/c1-7(10(12)13)14-9-4-2-8(6-11)3-5-9/h2-5,7H,1H3,(H2,12,13)/t7-/m1/s1
定義日:2020-10-30
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:(2R)-2-(4-cyanophenoxy)propanamide
WKG
WKG
表記:1-(2-azaspiro[5.6]dodecan-2-yl)ethan-1-one
組成式:C13 H23 N O
SMILES:C1C2(CCCCC1)CCCN(C(C)=O)C2
InChi:InChI=1S/C13H23NO/c1-12(15)14-10-6-9-13(11-14)7-4-2-3-5-8-13/h2-11H2,1H3
定義日:2020-10-30
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:1-(2-azaspiro[5.6]dodecan-2-yl)ethan-1-one

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