Chemie search results(化合物の検索結果)

簡易検索:
    化合物検索へ
    CH 3 N O CH 3 O N H 3 C N N O O H 3 C
    NV2
    表記:5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-yl-benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one
    組成式:C23 H30 N4 O4
    SMILES:COCC(COC)n1c2ccc(cc2nc1C3=CN(C)C(=O)C(=C3)C)N4CCOCC4
    InChi:InChI=1S/C23H30N4O4/c1-16-11-17(13-25(2)23(16)28)22-24-20-12-18(26-7-9-31-10-8-26)5-6-21(20)27(22)19(14-29-3)15-30-4/h5-6,11-13,19H,7-10,14-15H2,1-4H3
    別名:5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one
    定義日:2019-12-16
    最終更新日:2020-01-10
    公開日:2020-01-15
    識別子(ID):5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-yl-benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one
    CH 3 N H O O N F F F
    NXE
    表記:~{N}-[3-(trifluoromethyl)-1,2-oxazol-5-yl]ethanamide
    組成式:C6 H5 F3 N2 O2
    SMILES:CC(=O)Nc1onc(c1)C(F)(F)F
    InChi:InChI=1S/C6H5F3N2O2/c1-3(12)10-5-2-4(11-13-5)6(7,8)9/h2H,1H3,(H,10,12)
    定義日:2020-01-02
    最終更新日:2020-01-10
    公開日:2020-01-15
    識別子(ID):~{N}-[3-(trifluoromethyl)-1,2-oxazol-5-yl]ethanamide
    CH 3 CH 3 N H O NH N
    NXH
    表記:1-propan-2-yl-3-pyridin-4-yl-urea
    組成式:C9 H13 N3 O
    SMILES:CC(C)NC(=O)Nc1ccncc1
    InChi:InChI=1S/C9H13N3O/c1-7(2)11-9(13)12-8-3-5-10-6-4-8/h3-7H,1-2H3,(H2,10,11,12,13)
    定義日:2020-01-02
    最終更新日:2020-01-10
    公開日:2020-01-15
    識別子(ID):1-propan-2-yl-3-pyridin-4-yl-urea
    N S O N H N N N H CH 3
    O1S
    表記:6-(5-methyl-1H-pyrazol-4-yl)-2-[(pyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4(3H)-one
    組成式:C15 H17 N5 O S
    SMILES:n1c(c(cn1)c2sc4c(c2)N=C(CN3CCCC3)NC4=O)C
    InChi:InChI=1S/C15H17N5OS/c1-9-10(7-16-19-9)12-6-11-14(22-12)15(21)18-13(17-11)8-20-4-2-3-5-20/h6-7H,2-5,8H2,1H3,(H,16,19)(H,17,18,21)
    定義日:2019-06-04
    最終更新日:2020-01-10
    公開日:2020-01-15
    識別子(ID):6-(5-methyl-1H-pyrazol-4-yl)-2-[(pyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4(3H)-one
    N S O HN N N NH H 3 C
    O1V
    表記:2-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-6-(5-methyl-1H-pyrazol-4-yl)thieno[3,2-d]pyrimidin-4(3H)-one
    組成式:C17 H19 N5 O S
    SMILES:n1c(c(cn1)c2sc3c(c2)N=C(NC3=O)C5CC4CCN5CC4)C
    InChi:InChI=1S/C17H19N5OS/c1-9-11(8-18-21-9)14-7-12-15(24-14)17(23)20-16(19-12)13-6-10-2-4-22(13)5-3-10/h7-8,10,13H,2-6H2,1H3,(H,18,21)(H,19,20,23)/t13-/m0/s1
    定義日:2019-06-04
    最終更新日:2020-01-10
    公開日:2020-01-15
    識別子(ID):2-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-6-(5-methyl-1H-pyrazol-4-yl)thieno[3,2-d]pyrimidin-4(3H)-one
    S O O O O N N H N CH 3
    O41
    表記:5-cyclopropyl-N-[1-(methylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
    組成式:C13 H19 N3 O4 S
    SMILES:C1N(CCC(C1)NC(=O)c3cc(C2CC2)on3)S(C)(=O)=O
    InChi:InChI=1S/C13H19N3O4S/c1-21(18,19)16-6-4-10(5-7-16)14-13(17)11-8-12(20-15-11)9-2-3-9/h8-10H,2-7H2,1H3,(H,14,17)
    定義日:2019-06-07
    最終更新日:2020-01-10
    公開日:2020-01-15
    識別子(ID):5-cyclopropyl-N-[1-(methylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
    O N O O N H N O S H 2 N
    O6A
    表記:N-(1-{[4-(aminomethyl)phenyl]sulfonyl}piperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
    組成式:C19 H24 N4 O4 S
    SMILES:C2(CCN(S(c1ccc(CN)cc1)(=O)=O)CC2)NC(=O)c3cc(on3)C4CC4
    InChi:InChI=1S/C19H24N4O4S/c20-12-13-1-5-16(6-2-13)28(25,26)23-9-7-15(8-10-23)21-19(24)17-11-18(27-22-17)14-3-4-14/h1-2,5-6,11,14-15H,3-4,7-10,12,20H2,(H,21,24)
    定義日:2019-06-12
    最終更新日:2020-01-10
    公開日:2020-01-15
    識別子(ID):N-(1-{[4-(aminomethyl)phenyl]sulfonyl}piperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
    CH 3 H 3 C N N O O O HO O O
    P7F
    表記:(2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid
    組成式:C28 H30 N2 O6
    SMILES:CC[CH](Oc1cccc(CN(CCCOc2ccc(OC)cc2)c3oc4ccccc4n3)c1)C(O)=O
    InChi:InChI=1S/C28H30N2O6/c1-3-25(27(31)32)35-23-9-6-8-20(18-23)19-30(28-29-24-10-4-5-11-26(24)36-28)16-7-17-34-22-14-12-21(33-2)13-15-22/h4-6,8-15,18,25H,3,7,16-17,19H2,1-2H3,(H,31,32)/t25-/m1/s1
    定義日:2018-07-10
    最終更新日:2020-01-10
    公開日:2020-01-15
    識別子(ID):(2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid
    CH 3 N O H 3 C N N N O OH
    PKG
    表記:(3S)-3-[2-(benzenecarbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1H-benzotriazol-5-yl)propanoic acid
    組成式:C28 H28 N4 O3
    SMILES:c12CCN(Cc1cc(cc2)C(c4c(C)c3nnn(c3cc4)CC)CC(O)=O)C(=O)c5ccccc5
    InChi:InChI=1S/C28H28N4O3/c1-3-32-25-12-11-23(18(2)27(25)29-30-32)24(16-26(33)34)21-10-9-19-13-14-31(17-22(19)15-21)28(35)20-7-5-4-6-8-20/h4-12,15,24H,3,13-14,16-17H2,1-2H3,(H,33,34)/t24-/m0/s1
    定義日:2019-08-12
    最終更新日:2020-01-10
    公開日:2020-01-15
    識別子(ID):(3S)-3-[2-(benzenecarbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1H-benzotriazol-5-yl)propanoic acid
    N N Br N N CH 3 CH 3 N O O Cl Cl N N N O O
    QDG
    表記:4-(3-bromo-4-{4-[4-({(2R,4S)-2-(2,4-dichlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl}methoxy)phenyl]piperazin-1-yl}phenyl)-2-[(2S)-butan-2-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
    組成式:C35 H37 Br Cl2 N8 O4
    SMILES:C(C6(c1c(Cl)cc(cc1)Cl)OCC(COc2ccc(cc2)N5CCN(c3ccc(cc3Br)N4C(N(N=C4)C(C)CC)=O)CC5)O6)n7cncn7
    InChi:InChI=1S/C35H37BrCl2N8O4/c1-3-24(2)46-34(47)45(23-41-46)27-7-11-33(31(36)17-27)43-14-12-42(13-15-43)26-5-8-28(9-6-26)48-18-29-19-49-35(50-29,20-44-22-39-21-40-44)30-10-4-25(37)16-32(30)38/h4-11,16-17,21-24,29H,3,12-15,18-20H2,1-2H3/t24-,29-,35-/m0/s1
    定義日:2019-10-16
    最終更新日:2020-01-10
    公開日:2020-01-15
    識別子(ID):4-(3-bromo-4-{4-[4-({(2R,4S)-2-(2,4-dichlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl}methoxy)phenyl]piperazin-1-yl}phenyl)-2-[(2S)-butan-2-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
    N NH + N NH 2 N N N NH _ O O O Cl Cl H 3 C
    QQA
    表記:1-(6-((2-((6-amino-5-nitropyridin-2-yl)amino)ethyl)amino)-2-(2,4-dichlorophenyl)pyridin-3-yl)-4-methylpiperazin-2-one
    組成式:C23 H25 Cl2 N8 O3
    SMILES:CN1CCN(C(=O)C1)c2ccc(NCCNc3ccc(c(N)n3)[N+]([OH-])=O)nc2c4ccc(Cl)cc4Cl
    InChi:InChI=1S/C23H25Cl2N8O3/c1-31-10-11-32(21(34)13-31)17-4-6-19(29-22(17)15-3-2-14(24)12-16(15)25)27-8-9-28-20-7-5-18(33(35)36)23(26)30-20/h2-7,12,35H,8-11,13H2,1H3,(H,27,29)(H3,26,28,30)
    定義日:2019-12-07
    最終更新日:2020-01-10
    公開日:2020-01-15
    H 2 N O F F O CH 3 F O Br N F F
    ZI1
    表記:3-[(1R)-1-[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethoxy]-2,6-bis(fluoranyl)benzamide
    組成式:C19 H12 Br F5 N2 O3
    SMILES:C[CH](Oc1ccc(F)c(C(N)=O)c1F)c2oc(Br)c(n2)c3ccc(cc3)C(F)(F)F
    InChi:InChI=1S/C19H12BrF5N2O3/c1-8(29-12-7-6-11(21)13(14(12)22)17(26)28)18-27-15(16(20)30-18)9-2-4-10(5-3-9)19(23,24)25/h2-8H,1H3,(H2,26,28)/t8-/m1/s1
    定義日:2019-09-10
    最終更新日:2020-01-10
    公開日:2020-01-15
    識別子(ID):3-[(1~{R})-1-[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethoxy]-2,6-bis(fluoranyl)benzamide
    N O OH
    C3D
    表記:(5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-2-OL
    組成式:C28 H31 N O2
    SMILES:O(c1ccc(cc1)C4c2ccc(O)cc2CCC4c3ccccc3)CCN5CCCC5
    InChi:InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28+/m1/s1
    別名:Lasofoxifene
    定義日:2007-02-21
    最終更新日:2020-01-09
    識別子(ID):(5R,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
    + Re O O O
    RTC
    表記:RHENIUM (I) TRICARBONYL
    組成式:C3 O3 Re
    SMILES:[Re](|[C-]#[O+])(|[C-]#[O+])|[C-]#[O+]
    InChi:InChI=1/3CO.Re/c3*1-2
    定義日:2001-03-06
    最終更新日:2020-01-09
    O OH N H O HN O S
    HS4
    表記:N-oxidanyl-2-[(4-phenylphenyl)sulfonylamino]ethanamide
    組成式:C14 H14 N2 O4 S
    SMILES:O=NC(=O)CNS(=O)(=O)c2ccc(c1ccccc1)cc2
    InChi:InChI=1S/C14H14N2O4S/c17-14(16-18)10-15-21(19,20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,15,18H,10H2,(H,16,17)
    定義日:2008-11-04
    最終更新日:2020-01-07
    識別子(ID):N~2~-(biphenyl-4-ylsulfonyl)-N-oxoglycinamide
    S O O HO O HO NH 2 N HN N N
    EGE
    表記:4-azanyl-2-oxidanyl-5-[(~{E})-[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid
    組成式:C18 H15 N5 O5 S
    SMILES:Nc1cc(O)c(cc1N=Nc2ccc(cc2)[S](=O)(=O)Nc3ccccn3)C(O)=O
    InChi:InChI=1S/C18H15N5O5S/c19-14-10-16(24)13(18(25)26)9-15(14)22-21-11-4-6-12(7-5-11)29(27,28)23-17-3-1-2-8-20-17/h1-10,24H,19H2,(H,20,23)(H,25,26)/b22-21+
    定義日:2018-03-18
    最終更新日:2020-01-03
    公開日:2020-01-08
    識別子(ID):4-azanyl-2-oxidanyl-5-[(~{E})-[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid
    CH 3 Br F O NH CH 3 O O CH 3 O
    EGH
    表記:(4~{R})-4-(5-bromanyl-2-fluoranyl-phenyl)-5,6,7-trimethoxy-3,4-dihydro-1~{H}-quinolin-2-one
    組成式:C18 H17 Br F N O4
    SMILES:COc1cc2NC(=O)C[CH](c3cc(Br)ccc3F)c2c(OC)c1OC
    InChi:InChI=1S/C18H17BrFNO4/c1-23-14-8-13-16(18(25-3)17(14)24-2)11(7-15(22)21-13)10-6-9(19)4-5-12(10)20/h4-6,8,11H,7H2,1-3H3,(H,21,22)/t11-/m0/s1
    定義日:2018-03-18
    最終更新日:2020-01-03
    公開日:2020-01-08
    識別子(ID):(4~{R})-4-(5-bromanyl-2-fluoranyl-phenyl)-5,6,7-trimethoxy-3,4-dihydro-1~{H}-quinolin-2-one
    O CH 3 N S O N + NH
    EGN
    表記:4-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-quinolin-2-one
    組成式:C23 H32 N3 O2 S
    SMILES:CCN1C(=O)C=C(SCC(=O)N2CC[NH+](CC2)C3CCCCC3)c4ccccc14
    InChi:InChI=1S/C23H31N3O2S/c1-2-26-20-11-7-6-10-19(20)21(16-22(26)27)29-17-23(28)25-14-12-24(13-15-25)18-8-4-3-5-9-18/h6-7,10-11,16,18H,2-5,8-9,12-15,17H2,1H3/p+1
    定義日:2018-03-19
    最終更新日:2020-01-03
    公開日:2020-01-08
    識別子(ID):4-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-quinolin-2-one
    CH 3 CH 3 N OH
    FXH
    表記:1-[(dimethylamino)methyl]naphthalen-2-ol
    組成式:C13 H15 N O
    SMILES:CN(C)Cc1c(O)ccc2ccccc12
    InChi:InChI=1S/C13H15NO/c1-14(2)9-12-11-6-4-3-5-10(11)7-8-13(12)15/h3-8,15H,9H2,1-2H3
    定義日:2018-08-13
    最終更新日:2020-01-03
    公開日:2020-01-08
    識別子(ID):1-[(dimethylamino)methyl]naphthalen-2-ol
    HN CH 3 F N H O
    HWH
    表記:~{N}-[2-(5-fluoranyl-1~{H}-indol-3-yl)ethyl]ethanamide
    組成式:C12 H13 F N2 O
    SMILES:CC(=O)NCCc1c[nH]c2ccc(F)cc12
    InChi:InChI=1S/C12H13FN2O/c1-8(16)14-5-4-9-7-15-12-3-2-10(13)6-11(9)12/h2-3,6-7,15H,4-5H2,1H3,(H,14,16)
    定義日:2019-01-01
    最終更新日:2020-01-03
    公開日:2020-01-08
    識別子(ID):~{N}-[2-(5-fluoranyl-1~{H}-indol-3-yl)ethyl]ethanamide
    CH 3 Cl S O O O N N H 3 C
    JT0
    表記:2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide
    組成式:C16 H19 Cl N2 O3 S
    SMILES:C(=O)(CCl)N(CCCOC)c2scc(c1ccc(cc1)OC)n2
    InChi:InChI=1S/C16H19ClN2O3S/c1-21-9-3-8-19(15(20)10-17)16-18-14(11-23-16)12-4-6-13(22-2)7-5-12/h4-7,11H,3,8-10H2,1-2H3
    定義日:2019-07-10
    最終更新日:2020-01-03
    公開日:2020-01-08
    識別子(ID):2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide
    CH 2 O
    KJH
    表記:1-methylidenenaphthalen-2-one
    組成式:C11 H8 O
    SMILES:C=C1C(=O)C=Cc2ccccc12
    InChi:InChI=1S/C11H8O/c1-8-10-5-3-2-4-9(10)6-7-11(8)12/h2-7H,1H2
    定義日:2019-05-24
    最終更新日:2020-01-03
    公開日:2020-01-08
    識別子(ID):1-methylidenenaphthalen-2-one
    H 3 C O O CH 3 O O + N P O O CH 3 _ O CH 3 O H 3 C
    LBN
    表記:1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine
    組成式:C42 H82 N O8 P
    SMILES:C(C(COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCC=[C@H]CCCCCCCC)=O)OP(OCC[N+](C)(C)C)([O-])=O
    InChi:InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m1/s1
    別名:(2R)-2-[(9Z)-9-Octadecenoyloxy]-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate
    定義日:2013-02-14
    最終更新日:2020-01-03
    公開日:2020-01-08
    識別子(ID):(2R)-3-(hexadecanoyloxy)-2-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
    F H 3 C F F N N N H NH N N N H N O S H 3 C
    LMY
    表記:~{N}-[3-[[2-cyano-4-methyl-5-[[4-[[2-(methylamino)-6-[2,2,2-tris(fluoranyl)ethyl]thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]methanamide
    組成式:C32 H35 F3 N8 O S
    SMILES:CNc1nc(NC2CCN(CC2)Cc3ccc4n(CC56CC(C5)(C6)NC=O)c(cc4c3C)C#N)c7cc(CC(F)(F)F)sc7n1
    InChi:InChI=1S/C32H35F3N8OS/c1-19-20(3-4-26-24(19)9-22(12-36)43(26)17-30-14-31(15-30,16-30)38-18-44)13-42-7-5-21(6-8-42)39-27-25-10-23(11-32(33,34)35)45-28(25)41-29(37-2)40-27/h3-4,9-10,18,21H,5-8,11,13-17H2,1-2H3,(H,38,44)(H2,37,39,40,41)/t30-,31+
    定義日:2019-03-04
    最終更新日:2020-01-03
    公開日:2020-01-08
    識別子(ID):~{N}-[3-[[2-cyano-4-methyl-5-[[4-[[2-(methylamino)-6-[2,2,2-tris(fluoranyl)ethyl]thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]methanamide
    H 3 C CH 3 N H N N OH O O O O O Cl Cl CH 3
    N2V
    表記:N-{(3S,8S)-3-{4-[(3,4-dichlorophenyl)methoxy]phenyl}-7-[(1S)-1-phenylpropyl]-2,3,6,7,8,9-hexahydro[1,4]dioxino[2,3-g]isoquinoline-8-carbonyl}-4-(2,3-dimethylpyridin-4-yl)-L-phenylalanine
    組成式:C50 H47 Cl2 N3 O6
    SMILES:c2(ccc(OCc1cc(Cl)c(cc1)Cl)cc2)C7Oc6cc5CN(C(C(=O)NC(C(=O)O)Cc4ccc(c3c(c(C)ncc3)C)cc4)Cc5cc6OC7)C(c8ccccc8)CC
    InChi:InChI=1S/C50H47Cl2N3O6/c1-4-44(35-8-6-5-7-9-35)55-27-38-26-47-46(60-29-48(61-47)36-15-17-39(18-16-36)59-28-33-12-19-41(51)42(52)22-33)25-37(38)24-45(55)49(56)54-43(50(57)58)23-32-10-13-34(14-11-32)40-20-21-53-31(3)30(40)2/h5-22,25-26,43-45,48H,4,23-24,27-29H2,1-3H3,(H,54,56)(H,57,58)/t43-,44-,45-,48+/m0/s1
    定義日:2019-05-01
    最終更新日:2020-01-03
    公開日:2020-01-08
    識別子(ID):N-{(3S,8S)-3-{4-[(3,4-dichlorophenyl)methoxy]phenyl}-7-[(1S)-1-phenylpropyl]-2,3,6,7,8,9-hexahydro[1,4]dioxino[2,3-g]isoquinoline-8-carbonyl}-4-(2,3-dimethylpyridin-4-yl)-L-phenylalanine