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VUD
VUD
表記:6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)pyridin-2(1H)-one
組成式:C19 H16 F N5 O2
SMILES:C3(=C(C(Oc2c(nc1c(cc(cc1)F)c2)N)C)NC(=O)C=C3)n4nccc4
InChi:InChI=1S/C19H16FN5O2/c1-11(18-15(5-6-17(26)24-18)25-8-2-7-22-25)27-16-10-12-9-13(20)3-4-14(12)23-19(16)21/h2-11H,1H3,(H2,21,23)(H,24,26)/t11-/m0/s1
定義日:2020-09-15
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)pyridin-2(1H)-one
WRV
WRV
表記:N-(3-fluoro-4-methylphenyl)-N'-[(2S)-1-hydroxypropan-2-yl]urea
組成式:C11 H15 F N2 O2
SMILES:N(C(C)CO)C(Nc1ccc(c(c1)F)C)=O
InChi:InChI=1S/C11H15FN2O2/c1-7-3-4-9(5-10(7)12)14-11(16)13-8(2)6-15/h3-5,8,15H,6H2,1-2H3,(H2,13,14,16)/t8-/m0/s1
定義日:2020-11-04
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:N-(3-fluoro-4-methylphenyl)-N'-[(2S)-1-hydroxypropan-2-yl]urea
S65
S65
表記:heptachlor endo-epoxide
組成式:C10 H5 Cl7 O
SMILES:Cl[CH]1[CH]2O[CH]2[CH]3[CH]1[C]4(Cl)C(=C(Cl)[C]3(Cl)C4(Cl)Cl)Cl
InChi:InChI=1S/C10H5Cl7O/c11-3-1-2(4-5(3)18-4)9(15)7(13)6(12)8(1,14)10(9,16)17/h1-5H/t1-,2+,3+,4+,5-,8+,9-/m0/s1
別名:(1aR,1bR,5aS,6R,6aR)-2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-2H-2,5-methanoindeno[1,2-b]oxirene
定義日:2020-11-10
最終更新日:2021-01-08
公開日:2021-01-13
S68
S68
表記:endosulfan
組成式:C9 H6 Cl6 O3 S
SMILES:ClC1=C(Cl)[C]2(Cl)[CH]3CO[S](=O)OC[CH]3[C]1(Cl)C2(Cl)Cl
InChi:InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3-,4+,7-,8+,19+
別名:6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methanobenzo[e][1,3,2]dioxathiepine 3-oxide
定義日:2020-11-10
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:(1~{S},2~{R},8~{S},9~{R})-1,9,10,11,12,12-hexakis(chloranyl)-4,6-dioxa-5$l^{4}-thiatricyclo[7.2.1.0^{2,8}]dodec-10-ene 5-oxide
WRY
WRY
表記:7-fluoro-N,2-dimethylquinoline-3-carboxamide
組成式:C12 H11 F N2 O
SMILES:N(C)C(=O)c2cc1ccc(F)cc1nc2C
InChi:InChI=1S/C12H11FN2O/c1-7-10(12(16)14-2)5-8-3-4-9(13)6-11(8)15-7/h3-6H,1-2H3,(H,14,16)
定義日:2020-11-04
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:7-fluoro-N,2-dimethylquinoline-3-carboxamide
S6E
S6E
表記:(-)cis-chlordane
組成式:C10 H6 Cl8
SMILES:Cl[CH]1C[CH]2[CH]([CH]1Cl)[C]3(Cl)C(=C(Cl)[C]2(Cl)C3(Cl)Cl)Cl
InChi:InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2-,3-,4-,5-,8-,9+/m1/s1
別名:(1~{S},2~{R},3~{S},4~{R},6~{R},7~{R})-1,3,4,7,8,9,10,10-octakis(chloranyl)tricyclo[5.2.1.0^{2,6}]dec-8-ene
定義日:2020-11-10
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:(1~{S},2~{R},3~{S},4~{R},6~{R},7~{R})-1,3,4,7,8,9,10,10-octakis(chloranyl)tricyclo[5.2.1.0^{2,6}]dec-8-ene
WS4
WS4
表記:N-(4-hydroxyphenyl)-1-methyl-1H-pyrazole-4-carboxamide
組成式:C11 H11 N3 O2
SMILES:n2n(cc(C(=O)Nc1ccc(cc1)O)c2)C
InChi:InChI=1S/C11H11N3O2/c1-14-7-8(6-12-14)11(16)13-9-2-4-10(15)5-3-9/h2-7,15H,1H3,(H,13,16)
定義日:2020-11-04
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:N-(4-hydroxyphenyl)-1-methyl-1H-pyrazole-4-carboxamide
S6H
S6H
表記:(+)cis-chlordane
組成式:C10 H6 Cl8
SMILES:Cl[CH]1C[CH]2[CH]([CH]1Cl)[C]3(Cl)C(=C(Cl)[C]2(Cl)C3(Cl)Cl)Cl
InChi:InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2-,3-,4-,5-,8-,9+/m0/s1
別名:(1~{R},2~{S},3~{R},4~{S},6~{S},7~{S})-1,3,4,7,8,9,10,10-octakis(chloranyl)tricyclo[5.2.1.0^{2,6}]dec-8-ene
定義日:2020-11-10
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:(1~{R},2~{S},3~{R},4~{S},6~{S},7~{S})-1,3,4,7,8,9,10,10-octakis(chloranyl)tricyclo[5.2.1.0^{2,6}]dec-8-ene
OJB
OJB
表記:5-[(2~{R},3~{R},4~{R},5~{R},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-~{N}-[3-(propanoylamino)propyl]pentanamide
組成式:C19 H35 N3 O8
SMILES:CCC(=O)NCCCNC(=O)CCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1NC(C)=O
InChi:InChI=1S/C19H35N3O8/c1-3-14(25)20-8-6-9-21-15(26)7-4-5-10-29-19-16(22-12(2)24)18(28)17(27)13(11-23)30-19/h13,16-19,23,27-28H,3-11H2,1-2H3,(H,20,25)(H,21,26)(H,22,24)/t13-,16-,17+,18-,19-/m1/s1
定義日:2020-03-13
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:5-[(2~{R},3~{R},4~{R},5~{R},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-~{N}-[3-(propanoylamino)propyl]pentanamide
WSG
WSG
表記:N-(1-ethyl-1H-pyrazol-4-yl)-4-fluorobenzamide
組成式:C12 H12 F N3 O
SMILES:n2(CC)ncc(NC(=O)c1ccc(cc1)F)c2
InChi:InChI=1S/C12H12FN3O/c1-2-16-8-11(7-14-16)15-12(17)9-3-5-10(13)6-4-9/h3-8H,2H2,1H3,(H,15,17)
定義日:2020-11-04
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:N-(1-ethyl-1H-pyrazol-4-yl)-4-fluorobenzamide
WSJ
WSJ
表記:N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methanesulfonamide
組成式:C12 H15 N3 O3 S
SMILES:N1(C(C)=C(NS(=O)(=O)C)C(N1c2ccccc2)=O)C
InChi:InChI=1S/C12H15N3O3S/c1-9-11(13-19(3,17)18)12(16)15(14(9)2)10-7-5-4-6-8-10/h4-8,13H,1-3H3
定義日:2020-11-04
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methanesulfonamide
WSM
WSM
表記:4-(3-aminopropyl)-2H-1,4-benzoxazin-3(4H)-one
組成式:C11 H14 N2 O2
SMILES:NCCCN2c1c(cccc1)OCC2=O
InChi:InChI=1S/C11H14N2O2/c12-6-3-7-13-9-4-1-2-5-10(9)15-8-11(13)14/h1-2,4-5H,3,6-8,12H2
定義日:2020-11-04
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:4-(3-aminopropyl)-2H-1,4-benzoxazin-3(4H)-one
S6W
S6W
表記:fipronil
組成式:C12 H4 Cl2 F6 N4 O S
SMILES:Nc1n(nc(C#N)c1[S](=O)C(F)(F)F)c2c(Cl)cc(cc2Cl)C(F)(F)F
InChi:InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2/t26-/m1/s1
別名:5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile
定義日:2020-11-10
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:5-azanyl-1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile
S6Y
S6Y
表記:6-(2-methylpropyl)-2-oxidanylidene-5~{H}-pyrimidine-4-carboxylic acid
組成式:C9 H12 N2 O3
SMILES:CC(C)CC1=NC(=O)NC(=C1)C(O)=O
InChi:InChI=1S/C9H12N2O3/c1-5(2)3-6-4-7(8(12)13)11-9(14)10-6/h4-5H,3H2,1-2H3,(H,12,13)(H,10,11,14)
定義日:2020-03-05
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:4-(2-methylpropyl)-2-oxidanylidene-1~{H}-pyrimidine-6-carboxylic acid
S6Z
S6Z
表記:oxadiazon
組成式:C15 H18 Cl2 N2 O3
SMILES:CC(C)Oc1cc(N2N=C(OC2=O)C(C)(C)C)c(Cl)cc1Cl
InChi:InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3
別名:3-[2,4-bis(chloranyl)-5-propan-2-yloxy-phenyl]-5-~{tert}-butyl-1,3,4-oxadiazol-2-one
定義日:2020-11-10
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:3-[2,4-bis(chloranyl)-5-propan-2-yloxy-phenyl]-5-~{tert}-butyl-1,3,4-oxadiazol-2-one
T2K
T2K
表記:3-[5-[3,5-bis(chloranyl)phenyl]-4-phenyl-1,3-oxazol-2-yl]propanoic acid
組成式:C18 H13 Cl2 N O3
SMILES:OC(=O)CCc1oc(c2cc(Cl)cc(Cl)c2)c(n1)c3ccccc3
InChi:InChI=1S/C18H13Cl2NO3/c19-13-8-12(9-14(20)10-13)18-17(11-4-2-1-3-5-11)21-15(24-18)6-7-16(22)23/h1-5,8-10H,6-7H2,(H,22,23)
定義日:2020-12-13
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:3-[5-[3,5-bis(chloranyl)phenyl]-4-phenyl-1,3-oxazol-2-yl]propanoic acid
S9H
S9H
表記:7-[2-[(4-methoxyphenyl)amino]pyrimidin-4-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
組成式:C21 H20 N4 O2
SMILES:COc1ccc(Nc2nccc(n2)c3ccc4NC(=O)CCCc4c3)cc1
InChi:InChI=1S/C21H20N4O2/c1-27-17-8-6-16(7-9-17)23-21-22-12-11-19(25-21)15-5-10-18-14(13-15)3-2-4-20(26)24-18/h5-13H,2-4H2,1H3,(H,24,26)(H,22,23,25)
定義日:2020-11-12
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:7-[2-[(4-methoxyphenyl)amino]pyrimidin-4-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
S9K
S9K
表記:7-(2-phenylazanylpyrimidin-4-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
組成式:C20 H18 N4 O
SMILES:O=C1CCCc2cc(ccc2N1)c3ccnc(Nc4ccccc4)n3
InChi:InChI=1S/C20H18N4O/c25-19-8-4-5-14-13-15(9-10-17(14)23-19)18-11-12-21-20(24-18)22-16-6-2-1-3-7-16/h1-3,6-7,9-13H,4-5,8H2,(H,23,25)(H,21,22,24)
定義日:2020-11-12
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:7-(2-phenylazanylpyrimidin-4-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
T3Z
T3Z
表記:(R)-N-(1-cyclopropylethyl)-6-methylpicolinamide
組成式:C12 H16 N2 O
SMILES:C[CH](NC(=O)c1cccc(C)n1)C2CC2
InChi:InChI=1S/C12H16N2O/c1-8-4-3-5-11(13-8)12(15)14-9(2)10-6-7-10/h3-5,9-10H,6-7H2,1-2H3,(H,14,15)/t9-/m1/s1
別名:~{N}-[(1~{R})-1-cyclopropylethyl]-6-methyl-pyridine-2-carboxamide
定義日:2020-12-14
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:~{N}-[(1~{R})-1-cyclopropylethyl]-6-methyl-pyridine-2-carboxamide
VZP
VZP
表記:N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-methyl-N'-propan-2-ylurea
組成式:C9 H18 N2 O3 S
SMILES:N(C1CCS(C1)(=O)=O)(C(=O)NC(C)C)C
InChi:InChI=1S/C9H18N2O3S/c1-7(2)10-9(12)11(3)8-4-5-15(13,14)6-8/h7-8H,4-6H2,1-3H3,(H,10,12)/t8-/m1/s1
定義日:2020-09-24
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-methyl-N'-propan-2-ylurea
VZY
VZY
表記:N-(3-methylbenzene-1-carbonyl)glycine
組成式:C10 H11 N O3
SMILES:c1c(cc(cc1)C)C(NCC(O)=O)=O
InChi:InChI=1S/C10H11NO3/c1-7-3-2-4-8(5-7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)
定義日:2020-09-24
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:N-(3-methylbenzene-1-carbonyl)glycine
W0A
W0A
表記:N-[(1H-benzimidazol-2-yl)methyl]butanamide
組成式:C12 H15 N3 O
SMILES:n1c(CNC(=O)CCC)nc2c1cccc2
InChi:InChI=1S/C12H15N3O/c1-2-5-12(16)13-8-11-14-9-6-3-4-7-10(9)15-11/h3-4,6-7H,2,5,8H2,1H3,(H,13,16)(H,14,15)
定義日:2020-09-24
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:N-[(1H-benzimidazol-2-yl)methyl]butanamide
W0D
W0D
表記:N-[(1H-benzimidazol-2-yl)methyl]furan-2-carboxamide
組成式:C13 H11 N3 O2
SMILES:n2c(CNC(=O)c1ccco1)nc3ccccc23
InChi:InChI=1S/C13H11N3O2/c17-13(11-6-3-7-18-11)14-8-12-15-9-4-1-2-5-10(9)16-12/h1-7H,8H2,(H,14,17)(H,15,16)
定義日:2020-09-24
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:N-[(1H-benzimidazol-2-yl)methyl]furan-2-carboxamide
W0G
W0G
表記:(3R)-1-(2-fluorophenyl)-3-(methylamino)pyrrolidin-2-one
組成式:C11 H13 F N2 O
SMILES:N1(C(C(CC1)NC)=O)c2ccccc2F
InChi:InChI=1S/C11H13FN2O/c1-13-9-6-7-14(11(9)15)10-5-3-2-4-8(10)12/h2-5,9,13H,6-7H2,1H3/t9-/m1/s1
定義日:2020-09-24
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:(3R)-1-(2-fluorophenyl)-3-(methylamino)pyrrolidin-2-one
W0J
W0J
表記:(3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine
組成式:C10 H16 N4
SMILES:N1(CCCC(C1)NC)c2nnccc2
InChi:InChI=1S/C10H16N4/c1-11-9-4-3-7-14(8-9)10-5-2-6-12-13-10/h2,5-6,9,11H,3-4,7-8H2,1H3/t9-/m1/s1
定義日:2020-09-24
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:(3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine

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