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WMY
WMY
表記:3-chloro-N-(1,2-oxazol-3-yl)benzamide
組成式:C10 H7 Cl N2 O2
SMILES:c1onc(c1)NC(c2cccc(c2)Cl)=O
InChi:InChI=1S/C10H7ClN2O2/c11-8-3-1-2-7(6-8)10(14)12-9-4-5-15-13-9/h1-6H,(H,12,13,14)
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-chloro-N-(1,2-oxazol-3-yl)benzamide
WN1
WN1
表記:N-(2-fluorophenyl)-3-methoxybenzamide
組成式:C14 H12 F N O2
SMILES:c1cccc(c1NC(c2cccc(c2)OC)=O)F
InChi:InChI=1S/C14H12FNO2/c1-18-11-6-4-5-10(9-11)14(17)16-13-8-3-2-7-12(13)15/h2-9H,1H3,(H,16,17)
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-fluorophenyl)-3-methoxybenzamide
WN4
WN4
表記:N-(6-methylpyridin-2-yl)-L-prolinamide
組成式:C11 H15 N3 O
SMILES:C1(CCCN1)C(=O)Nc2cccc(C)n2
InChi:InChI=1S/C11H15N3O/c1-8-4-2-6-10(13-8)14-11(15)9-5-3-7-12-9/h2,4,6,9,12H,3,5,7H2,1H3,(H,13,14,15)/t9-/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）:N-(6-methylpyridin-2-yl)-L-prolinamide
WN7
WN7
表記:5-methyl-N-[(pyridin-4-yl)methyl]pyridin-3-amine
組成式:C12 H13 N3
SMILES:c2c(CNc1cc(C)cnc1)ccnc2
InChi:InChI=1S/C12H13N3/c1-10-6-12(9-14-7-10)15-8-11-2-4-13-5-3-11/h2-7,9,15H,8H2,1H3
定義日:2020-10-30
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:5-methyl-N-[(pyridin-4-yl)methyl]pyridin-3-amine
WNA
WNA
表記:1-methyl-N-[(2-methylphenyl)methyl]-1H-tetrazol-5-amine
組成式:C10 H13 N5
SMILES:c2(NCc1c(C)cccc1)nnnn2C
InChi:InChI=1S/C10H13N5/c1-8-5-3-4-6-9(8)7-11-10-12-13-14-15(10)2/h3-6H,7H2,1-2H3,(H,11,12,14)
定義日:2020-10-30
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:1-methyl-N-[(2-methylphenyl)methyl]-1H-tetrazol-5-amine
WND
WND
表記:2-methyl-1-[(oxan-4-yl)amino]propan-2-ol
組成式:C9 H19 N O2
SMILES:CC(C)(CNC1CCOCC1)O
InChi:InChI=1S/C9H19NO2/c1-9(2,11)7-10-8-3-5-12-6-4-8/h8,10-11H,3-7H2,1-2H3
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-methyl-1-[(oxan-4-yl)amino]propan-2-ol
WNG
WNG
表記:N-[(Z)-2-phenylethenyl]-1H-benzimidazol-2-amine
組成式:C15 H13 N3
SMILES:c2(nc1c(cccc1)n2)N[C@H]=Cc3ccccc3
InChi:InChI=1S/C15H13N3/c1-2-6-12(7-3-1)10-11-16-15-17-13-8-4-5-9-14(13)18-15/h1-11H,(H2,16,17,18)/b11-10-
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-[(Z)-2-phenylethenyl]-1H-benzimidazol-2-amine
WNJ
WNJ
表記:N-{[(3R)-pyrrolidin-3-yl]methyl}pyridin-2-amine
組成式:C10 H15 N3
SMILES:C1CNCC1CNc2ccccn2
InChi:InChI=1S/C10H15N3/c1-2-5-12-10(3-1)13-8-9-4-6-11-7-9/h1-3,5,9,11H,4,6-8H2,(H,12,13)/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）:N-{[(3R)-pyrrolidin-3-yl]methyl}pyridin-2-amine
WNM
WNM
表記:(3S)-1-(phenylsulfonyl)pyrrolidin-3-amine
組成式:C10 H14 N2 O2 S
SMILES:c2(S(N1CCC(N)C1)(=O)=O)ccccc2
InChi:InChI=1S/C10H14N2O2S/c11-9-6-7-12(8-9)15(13,14)10-4-2-1-3-5-10/h1-5,9H,6-8,11H2/t9-/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）:(3S)-1-(phenylsulfonyl)pyrrolidin-3-amine
WNP
WNP
表記:N-(3-chlorophenyl)-2,2,2-trifluoroacetamide
組成式:C8 H5 Cl F3 N O
SMILES:c1cc(NC(C(F)(F)F)=O)cc(c1)Cl
InChi:InChI=1S/C8H5ClF3NO/c9-5-2-1-3-6(4-5)13-7(14)8(10,11)12/h1-4H,(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）:N-(3-chlorophenyl)-2,2,2-trifluoroacetamide
WNS
WNS
表記:N-(2-chloropyridin-3-yl)butanamide
組成式:C9 H11 Cl N2 O
SMILES:c1ccc(NC(CCC)=O)c(n1)Cl
InChi:InChI=1S/C9H11ClN2O/c1-2-4-8(13)12-7-5-3-6-11-9(7)10/h3,5-6H,2,4H2,1H3,(H,12,13)
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-chloropyridin-3-yl)butanamide
WNV
WNV
表記:N,N,2,3-tetramethylbenzamide
組成式:C11 H15 N O
SMILES:c1(cccc(C(=O)N(C)C)c1C)C
InChi:InChI=1S/C11H15NO/c1-8-6-5-7-10(9(8)2)11(13)12(3)4/h5-7H,1-4H3
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,2,3-tetramethylbenzamide
WNY
WNY
表記:1-[4-(4-chlorophenyl)piperazin-1-yl]ethan-1-one
組成式:C12 H15 Cl N2 O
SMILES:c2(N1CCN(C(C)=O)CC1)ccc(cc2)Cl
InChi:InChI=1S/C12H15ClN2O/c1-10(16)14-6-8-15(9-7-14)12-4-2-11(13)3-5-12/h2-5H,6-9H2,1H3
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-[4-(4-chlorophenyl)piperazin-1-yl]ethan-1-one
WO1
WO1
表記:(3R)-1-methylpiperidin-3-yl furan-2-carboxylate
組成式:C11 H15 N O3
SMILES:c2cc(C(=O)OC1CCCN(C)C1)oc2
InChi:InChI=1S/C11H15NO3/c1-12-6-2-4-9(8-12)15-11(13)10-5-3-7-14-10/h3,5,7,9H,2,4,6,8H2,1H3/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）:(3R)-1-methylpiperidin-3-yl furan-2-carboxylate
WO7
WO7
表記:1-(1,4-diazepan-1-yl)ethan-1-one
組成式:C7 H14 N2 O
SMILES:C1CNCCCN1C(C)=O
InChi:InChI=1S/C7H14N2O/c1-7(10)9-5-2-3-8-4-6-9/h8H,2-6H2,1H3
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-(1,4-diazepan-1-yl)ethan-1-one
WOA
WOA
表記:(3S)-3-(methylamino)-1-phenylpiperidin-2-one
組成式:C12 H16 N2 O
SMILES:c2(N1CCCC(NC)C1=O)ccccc2
InChi:InChI=1S/C12H16N2O/c1-13-11-8-5-9-14(12(11)15)10-6-3-2-4-7-10/h2-4,6-7,11,13H,5,8-9H2,1H3/t11-/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）:(3S)-3-(methylamino)-1-phenylpiperidin-2-one
WOD
WOD
表記:3-cyclopropyl-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
組成式:C9 H13 N3 O
SMILES:C1C(CNC1)c3onc(C2CC2)n3
InChi:InChI=1S/C9H13N3O/c1-2-6(1)8-11-9(13-12-8)7-3-4-10-5-7/h6-7,10H,1-5H2/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）:3-cyclopropyl-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
N47
N47
表記:N~2~-{4-methoxy-3-[3-(pyrrolidin-1-yl)propoxy]phenyl}-N~4~,6-dimethylpyrimidine-2,4-diamine
組成式:C20 H29 N5 O2
SMILES:N(c3nc(Nc2cc(OCCCN1CCCC1)c(OC)cc2)nc(C)c3)C
InChi:InChI=1S/C20H29N5O2/c1-15-13-19(21-2)24-20(22-15)23-16-7-8-17(26-3)18(14-16)27-12-6-11-25-9-4-5-10-25/h7-8,13-14H,4-6,9-12H2,1-3H3,(H2,21,22,23,24)
定義日:2019-05-02
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:N~2~-{4-methoxy-3-[3-(pyrrolidin-1-yl)propoxy]phenyl}-N~4~,6-dimethylpyrimidine-2,4-diamine
WOJ
WOJ
表記:(3S,4R)-3-methyl-1-(methylsulfonyl)piperidin-4-amine
組成式:C7 H16 N2 O2 S
SMILES:CC1CN(CCC1N)S(C)(=O)=O
InChi:InChI=1S/C7H16N2O2S/c1-6-5-9(12(2,10)11)4-3-7(6)8/h6-7H,3-5,8H2,1-2H3/t6-,7+/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）:(3S,4R)-3-methyl-1-(methylsulfonyl)piperidin-4-amine
WP4
WP4
表記:(3R)-N-benzylpyrrolidin-3-amine
組成式:C11 H16 N2
SMILES:c1cc(ccc1)CNC2CCNC2
InChi:InChI=1S/C11H16N2/c1-2-4-10(5-3-1)8-13-11-6-7-12-9-11/h1-5,11-13H,6-9H2/t11-/m1/s1
定義日:2020-11-02
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:(3R)-N-benzylpyrrolidin-3-amine
WQD
WQD
表記:UDP-4-deoxy-4-formamido-beta-L-arabinopyranose
組成式:C15 H23 N3 O16 P2
SMILES:C(OP(OP(O)(=O)OC1C(O)C(O)C(NC=O)CO1)(=O)O)C3C(C(O)C(N2C=CC(NC2=O)=O)O3)O
InChi:InChI=1S/C15H23N3O16P2/c19-5-16-6-3-30-14(12(24)9(6)21)33-36(28,29)34-35(26,27)31-4-7-10(22)11(23)13(32-7)18-2-1-8(20)17-15(18)25/h1-2,5-7,9-14,21-24H,3-4H2,(H,16,19)(H,26,27)(H,28,29)(H,17,20,25)/t6-,7+,9-,10+,11+,12+,13+,14+/m0/s1
別名:[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{S},5~{S})-5-formamido-3,4-bis(oxidanyl)oxan-2-yl] hydrogen phosphate
定義日:2020-11-04
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5S)-5-(formylamino)-3,4-dihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)
WSS
WSS
表記:tri(methyl)-[2-[[(2~{R})-2-[(~{Z})-octadec-9-enoyl]oxy-3-[(~{E})-1-oxidanylideneoctadec-9-enoxy]propoxy]-oxidanyl-phosphoryl]oxyethyl]azanium
組成式:C44 H85 N O8 P
SMILES:C(OP(=O)(O)OCC[N+](C)(C)C)C(COC(=O)CCCCCCC[C@H]=CCCCCCCCC)OC(CCCCCCC[C@H]=CCCCCCCCC)=O
InChi:InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/p+1/b22-20+,23-21-/t42-/m1/s1
定義日:2020-11-04
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:(4R,7R,18E)-4-hydroxy-N,N,N-trimethyl-7-{[(9Z)-octadec-9-enoyl]oxy}-4,10-dioxo-3,5,9-trioxa-4lambda~5~-phosphaheptacos-18-en-1-aminium
H3U
H3U
表記:8-(3-(3-aminobenzamido)-4-methylbenzamido)naphthalene-1,3,5-trisulfonic acid
組成式:C25 H21 N3 O11 S3
SMILES:Cc1ccc(cc1NC(=O)c2cccc(N)c2)C(=O)Nc3ccc(c4cc(cc(c34)[S](O)(=O)=O)[S](O)(=O)=O)[S](O)(=O)=O
InChi:InChI=1S/C25H21N3O11S3/c1-13-5-6-15(10-20(13)28-24(29)14-3-2-4-16(26)9-14)25(30)27-19-7-8-21(41(34,35)36)18-11-17(40(31,32)33)12-22(23(18)19)42(37,38)39/h2-12H,26H2,1H3,(H,27,30)(H,28,29)(H,31,32,33)(H,34,35,36)(H,37,38,39)
定義日:2020-11-02
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:8-[[3-[(3-aminophenyl)carbonylamino]-4-methyl-phenyl]carbonylamino]naphthalene-1,3,5-trisulfonic acid
UA7
UA7
表記:Brodifacoum
組成式:C31 H23 Br O3
SMILES:C4C(c2ccc(c1ccc(cc1)Br)cc2)Cc3ccccc3C4C=5C(Oc6c(C=5O)cccc6)=O
InChi:InChI=1S/C31H23BrO3/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,33H,17-18H2/t23-,27-/m1/s1
別名:3-[(1R,3S)-3-(4'-bromo[1,1'-biphenyl]-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxy-2H-1-benzopyran-2-one
定義日:2020-05-06
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:3-[(1R,3S)-3-(4'-bromo[1,1'-biphenyl]-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxy-2H-1-benzopyran-2-one
UAJ
UAJ
表記:Chlorophacinone
組成式:C23 H15 Cl O3
SMILES:c1ccc(cc1)C(C(C3C(=O)c2ccccc2C3=O)=O)c4ccc(Cl)cc4
InChi:InChI=1S/C23H15ClO3/c24-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)23(27)20-21(25)17-8-4-5-9-18(17)22(20)26/h1-13,19-20H/t19-/m1/s1
別名:2-[(2R)-2-(4-chlorophenyl)-2-phenylacetyl]-1H-indene-1,3(2H)-dione
定義日:2020-05-06
最終更新日:2020-11-06
公開日:2020-11-11
識別子（ID）:2-[(2R)-2-(4-chlorophenyl)-2-phenylacetyl]-1H-indene-1,3(2H)-dione

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