Quick search:
    Go to Chemie search
    S O O O NH H 3 C
    LO4
    Name:Ciglitazone
    Formula:C18 H23 N O3 S
    SMILES:c2(OCC1(C)CCCCC1)ccc(cc2)CC=3C(NC(=O)S=3)=O
    InChi:InChI=1S/C18H23NO3S/c1-18(9-3-2-4-10-18)12-22-14-7-5-13(6-8-14)11-15-16(20)19-17(21)23-15/h5-8,23H,2-4,9-12H2,1H3,(H,19,20,21)
    Synonyms:5-({4-[(1-methylcyclohexyl)methoxy]phenyl}methyl)-2H-1lambda~4~,3-thiazole-2,4(3H)-dione
    Definition date:2019-03-06
    Last modified:2019-11-01
    Release date:2019-11-06
    Identifier:5-({4-[(1-methylcyclohexyl)methoxy]phenyl}methyl)-2H-1lambda~4~,3-thiazole-2,4(3H)-dione
    S O O O O N H N H 3 C
    LO7
    Name:Mitoglitazone
    Formula:C19 H18 N2 O4 S
    SMILES:c2(OCC(c1ccc(CC)cn1)=O)ccc(cc2)CC3SC(=O)NC3=O
    InChi:InChI=1S/C19H18N2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h3-8,10,17H,2,9,11H2,1H3,(H,21,23,24)/t17-/m0/s1
    Synonyms:(5S)-5-({4-[2-(5-ethylpyridin-2-yl)-2-oxoethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione
    Definition date:2019-03-06
    Last modified:2019-11-01
    Release date:2019-11-06
    Identifier:(5S)-5-({4-[2-(5-ethylpyridin-2-yl)-2-oxoethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione
    HO O OH P NH S H 3 C Cl N N
    M2V
    Name:[(1R)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid
    Formula:C21 H19 Cl N3 O3 P S
    SMILES:c3(c2c(sc(c1cc(Cl)c(cc1)C)c2)ncn3)NC(P(O)(O)=O)Cc4ccccc4
    InChi:InChI=1S/C21H19ClN3O3PS/c1-13-7-8-15(10-17(13)22)18-11-16-20(23-12-24-21(16)30-18)25-19(29(26,27)28)9-14-5-3-2-4-6-14/h2-8,10-12,19H,9H2,1H3,(H,23,24,25)(H2,26,27,28)/t19-/m1/s1
    Definition date:2019-03-19
    Last modified:2019-11-01
    Release date:2019-11-06
    Identifier:[(1R)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid
    OH O HO P HN S H 3 C Cl N N
    M2Y
    Name:[(1S)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid
    Formula:C21 H19 Cl N3 O3 P S
    SMILES:c1(ncnc3c1cc(c2cc(Cl)c(C)cc2)s3)NC(Cc4ccccc4)P(O)(O)=O
    InChi:InChI=1S/C21H19ClN3O3PS/c1-13-7-8-15(10-17(13)22)18-11-16-20(23-12-24-21(16)30-18)25-19(29(26,27)28)9-14-5-3-2-4-6-14/h2-8,10-12,19H,9H2,1H3,(H,23,24,25)(H2,26,27,28)/t19-/m0/s1
    Definition date:2019-03-19
    Last modified:2019-11-01
    Release date:2019-11-06
    Identifier:[(1S)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid
    CH 3 N N O N N N NH CH 3
    M7N
    Name:~{N}-[[4-(diethylaminomethyl)phenyl]methyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide
    Formula:C21 H30 N6 O
    SMILES:CCN(CC)Cc1ccc(CNC(=O)N2CCN(CC2)c3ncccn3)cc1
    InChi:InChI=1S/C21H30N6O/c1-3-25(4-2)17-19-8-6-18(7-9-19)16-24-21(28)27-14-12-26(13-15-27)20-22-10-5-11-23-20/h5-11H,3-4,12-17H2,1-2H3,(H,24,28)
    Definition date:2019-10-04
    Last modified:2019-11-01
    Release date:2019-11-06
    Identifier:~{N}-[[4-(diethylaminomethyl)phenyl]methyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide
    O N N H O N N S
    M7T
    Name:~{N}-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-thiophen-2-ylcarbonyl-piperazine-1-carboxamide
    Formula:C22 H28 N4 O2 S
    SMILES:O=C(NCc1ccc(CN2CCCC2)cc1)N3CCN(CC3)C(=O)c4sccc4
    InChi:InChI=1S/C22H28N4O2S/c27-21(20-4-3-15-29-20)25-11-13-26(14-12-25)22(28)23-16-18-5-7-19(8-6-18)17-24-9-1-2-10-24/h3-8,15H,1-2,9-14,16-17H2,(H,23,28)
    Definition date:2019-10-04
    Last modified:2019-11-01
    Release date:2019-11-06
    Identifier:~{N}-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-thiophen-2-ylcarbonyl-piperazine-1-carboxamide
    CH 3 O N N H N N CH 3 O O
    M7W
    Name:4-(4-ethanoylphenyl)-~{N}-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carboxamide
    Formula:C20 H24 N4 O3
    SMILES:COc1ccc(CNC(=O)N2CCN(CC2)c3ccc(cc3)C(C)=O)cn1
    InChi:InChI=1S/C20H24N4O3/c1-15(25)17-4-6-18(7-5-17)23-9-11-24(12-10-23)20(26)22-14-16-3-8-19(27-2)21-13-16/h3-8,13H,9-12,14H2,1-2H3,(H,22,26)
    Definition date:2019-10-04
    Last modified:2019-11-01
    Release date:2019-11-06
    Identifier:4-(4-ethanoylphenyl)-~{N}-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carboxamide
    N N H N H Cl O N
    M7Z
    Name:4-chloranyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide
    Formula:C20 H21 Cl N4 O
    SMILES:Clc1ccc(cc1)C(=O)Nc2ccc3nc(CN4CCCCC4)[nH]c3c2
    InChi:InChI=1S/C20H21ClN4O/c21-15-6-4-14(5-7-15)20(26)22-16-8-9-17-18(12-16)24-19(23-17)13-25-10-2-1-3-11-25/h4-9,12H,1-3,10-11,13H2,(H,22,26)(H,23,24)
    Definition date:2019-10-04
    Last modified:2019-11-01
    Release date:2019-11-06
    Identifier:4-chloranyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide
    N N H N H I O N
    M82
    Name:4-iodanyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide
    Formula:C20 H21 I N4 O
    SMILES:Ic1ccc(cc1)C(=O)Nc2ccc3nc(CN4CCCCC4)[nH]c3c2
    InChi:InChI=1S/C20H21IN4O/c21-15-6-4-14(5-7-15)20(26)22-16-8-9-17-18(12-16)24-19(23-17)13-25-10-2-1-3-11-25/h4-9,12H,1-3,10-11,13H2,(H,22,26)(H,23,24)
    Definition date:2019-10-04
    Last modified:2019-11-01
    Release date:2019-11-06
    Identifier:4-iodanyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide
    N N H N O N N H
    M8K
    Name:4-cyano-~{N}-[2-(piperidin-1-ylmethyl)-1~{H}-benzimidazol-5-yl]benzamide
    Formula:C21 H21 N5 O
    SMILES:O=C(Nc1ccc2[nH]c(CN3CCCCC3)nc2c1)c4ccc(cc4)C#N
    InChi:InChI=1S/C21H21N5O/c22-13-15-4-6-16(7-5-15)21(27)23-17-8-9-18-19(12-17)25-20(24-18)14-26-10-2-1-3-11-26/h4-9,12H,1-3,10-11,14H2,(H,23,27)(H,24,25)
    Definition date:2019-10-04
    Last modified:2019-11-01
    Release date:2019-11-06
    Identifier:4-cyano-~{N}-[2-(piperidin-1-ylmethyl)-1~{H}-benzimidazol-5-yl]benzamide
    F N CH 3 CH 3 N F OH N N O CH 3 H 3 C N O N CH 3
    MOV
    Name:6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-propanoylpiperazin-1-yl]-1-[4-methyl-2-(propan-2-yl)pyridin-3-yl]pyrido[2,3-d]pyrimidin-2(1H)-one
    Formula:C30 H32 F2 N6 O3
    SMILES:CC1N(CCN(C1)C(=O)CC)C3=NC(=O)N(c2c(nccc2C)C(C)C)c4c3cc(F)c(n4)c5c(F)cccc5O
    InChi:InChI=1S/C30H32F2N6O3/c1-6-23(40)36-12-13-37(18(5)15-36)28-19-14-21(32)26(24-20(31)8-7-9-22(24)39)34-29(19)38(30(41)35-28)27-17(4)10-11-33-25(27)16(2)3/h7-11,14,16,18,39H,6,12-13,15H2,1-5H3/t18-/m0/s1
    Definition date:2019-04-10
    Last modified:2019-11-01
    Release date:2019-11-06
    Identifier:6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-propanoylpiperazin-1-yl]-1-[4-methyl-2-(propan-2-yl)pyridin-3-yl]pyrido[2,3-d]pyrimidin-2(1H)-one
    O OH O O OH OH HO O O O P P P P O N N O HO OH N OH O N NH 2
    N7Y
    Name:adenosine 3',5'-bis(trihydrogen diphosphate)
    Formula:C10 H17 N5 O16 P4
    SMILES:O(P(=O)(O)O)P(O)(OC1C(C(OC1COP(=O)(O)OP(=O)(O)O)n2cnc3c(ncnc23)N)O)=O
    InChi:InChI=1S/C10H17N5O16P4/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(29-35(25,26)31-33(20,21)22)4(28-10)1-27-34(23,24)30-32(17,18)19/h2-4,6-7,10,16H,1H2,(H,23,24)(H,25,26)(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1
    Definition date:2019-05-06
    Last modified:2019-11-01
    Release date:2019-11-06
    Identifier:adenosine 3',5'-bis(trihydrogen diphosphate)
    O F F F F F F F O O HO O N S F
    O5B
    Name:trans-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid
    Formula:C29 H27 F8 N O5 S
    SMILES:C2CN(C(=O)C1CCC(CC1)C(O)=O)C3CCc5cc(C(C(F)(F)F)(F)C(F)(F)F)ccc5C23S(c4ccc(cc4)F)(=O)=O
    InChi:InChI=1S/C29H27F8NO5S/c30-20-7-9-21(10-8-20)44(42,43)26-13-14-38(24(39)16-1-3-17(4-2-16)25(40)41)23(26)12-5-18-15-19(6-11-22(18)26)27(31,28(32,33)34)29(35,36)37/h6-11,15-17,23H,1-5,12-14H2,(H,40,41)/t16-,17-,23-,26-/m1/s1
    Definition date:2019-08-20
    Last modified:2019-11-01
    Release date:2019-11-06
    Identifier:trans-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid
    N N N H O O O O O S
    O6S
    Name:(4-oxo-5-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl 3-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoate
    Formula:C24 H19 N3 O5 S
    SMILES:C(CCN2C(COc1ccccc12)=O)(=O)OCC5=Nc3c(c(cs3)c4ccccc4)C(N5)=O
    InChi:InChI=1S/C24H19N3O5S/c28-20-13-31-18-9-5-4-8-17(18)27(20)11-10-21(29)32-12-19-25-23(30)22-16(14-33-24(22)26-19)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,25,26,30)
    Definition date:2019-06-14
    Last modified:2019-11-01
    Release date:2019-11-06
    Identifier:(4-oxo-5-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl 3-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoate
    N HN N H O O O O S S CH 3
    O6V
    Name:(1S)-1-(4-oxo-5-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)ethyl [(2S)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetate
    Formula:C24 H19 N3 O4 S2
    SMILES:CC(OC(=O)CC2Sc1ccccc1NC2=O)C=3NC(c5c(N=3)scc5c4ccccc4)=O
    InChi:InChI=1S/C24H19N3O4S2/c1-13(31-19(28)11-18-22(29)25-16-9-5-6-10-17(16)33-18)21-26-23(30)20-15(12-32-24(20)27-21)14-7-3-2-4-8-14/h2-10,12-13,18H,11H2,1H3,(H,25,29)(H,26,27,30)/t13-,18-/m0/s1
    Definition date:2019-06-14
    Last modified:2019-11-01
    Release date:2019-11-06
    Identifier:(1S)-1-(4-oxo-5-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)ethyl [(2S)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetate
    N OH HO O
    OA7
    Name:6-hydroxypyridine-3-carboxylic acid
    Formula:C6 H5 N O3
    SMILES:c1cc(O)ncc1C(O)=O
    InChi:InChI=1S/C6H5NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3H,(H,7,8)(H,9,10)
    Synonyms:6-hydroxynicotinic acid
    Definition date:2019-06-19
    Last modified:2019-11-01
    Release date:2019-11-06
    Identifier:6-hydroxypyridine-3-carboxylic acid
    O HN CH 3 OH
    OO1
    Name:(4-methylphenyl)carbamic acid
    Formula:C8 H9 N O2
    SMILES:C(O)(=O)Nc1ccc(cc1)C
    InChi:InChI=1S/C8H9NO2/c1-6-2-4-7(5-3-6)9-8(10)11/h2-5,9H,1H3,(H,10,11)
    Definition date:2019-07-01
    Last modified:2019-11-01
    Release date:2019-11-06
    Identifier:(4-methylphenyl)carbamic acid
    O O HO O
    OR4
    Name:[6-(benzyloxy)-1-benzofuran-3-yl]acetic acid
    Formula:C17 H14 O4
    SMILES:C(O)(Cc1c3c(oc1)cc(OCc2ccccc2)cc3)=O
    InChi:InChI=1S/C17H14O4/c18-17(19)8-13-11-21-16-9-14(6-7-15(13)16)20-10-12-4-2-1-3-5-12/h1-7,9,11H,8,10H2,(H,18,19)
    Definition date:2019-07-02
    Last modified:2019-11-01
    Release date:2019-11-06
    Identifier:[6-(benzyloxy)-1-benzofuran-3-yl]acetic acid
    O HO O O CH 3
    OVG
    Name:(6-butoxy-1-benzofuran-3-yl)acetic acid
    Formula:C14 H16 O4
    SMILES:C(=O)(O)Cc2coc1c2ccc(c1)OCCCC
    InChi:InChI=1S/C14H16O4/c1-2-3-6-17-11-4-5-12-10(7-14(15)16)9-18-13(12)8-11/h4-5,8-9H,2-3,6-7H2,1H3,(H,15,16)
    Definition date:2019-07-09
    Last modified:2019-11-01
    Release date:2019-11-06
    Identifier:(6-butoxy-1-benzofuran-3-yl)acetic acid
    O O O HO N H CH 3
    OVJ
    Name:{6-[(4-methoxyphenyl)amino]-1-benzofuran-3-yl}acetic acid
    Formula:C17 H15 N O4
    SMILES:c1(ccc(OC)cc1)Nc3ccc2c(occ2CC(=O)O)c3
    InChi:InChI=1S/C17H15NO4/c1-21-14-5-2-12(3-6-14)18-13-4-7-15-11(8-17(19)20)10-22-16(15)9-13/h2-7,9-10,18H,8H2,1H3,(H,19,20)
    Definition date:2019-07-09
    Last modified:2019-11-01
    Release date:2019-11-06
    Identifier:{6-[(4-methoxyphenyl)amino]-1-benzofuran-3-yl}acetic acid
    O OH O O
    OVS
    Name:(6-phenoxy-1-benzofuran-3-yl)acetic acid
    Formula:C16 H12 O4
    SMILES:O(c1ccccc1)c2cc3c(cc2)c(CC(O)=O)co3
    InChi:InChI=1S/C16H12O4/c17-16(18)8-11-10-19-15-9-13(6-7-14(11)15)20-12-4-2-1-3-5-12/h1-7,9-10H,8H2,(H,17,18)
    Definition date:2019-07-09
    Last modified:2019-11-01
    Release date:2019-11-06
    Identifier:(6-phenoxy-1-benzofuran-3-yl)acetic acid
    O O O OH HO HO O HO O O O HO O O P P P P P O N N O H 2 N OH O N N
    OZV
    Name:5'-O-[(R)-hydroxy{[(4R,8S)-4,6,8-trihydroxy-2,4,6,8-tetraoxo-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetroxatetraphosphocan-2-yl]oxy}phosphoryl]adenosine
    Formula:C10 H16 N5 O18 P5
    SMILES:OP4(OP(OP(=O)(OP(O)(=O)OCC3C(C(C(n2c1c(c(N)ncn1)nc2)O3)O)O)OP(O4)(=O)O)(O)=O)=O
    InChi:InChI=1S/C10H16N5O18P5/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(28-10)1-27-34(18,19)31-38(26)32-36(22,23)29-35(20,21)30-37(24,25)33-38/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
    Definition date:2019-07-22
    Last modified:2019-11-01
    Release date:2019-11-06
    Identifier:5'-O-[(R)-hydroxy{[(4R,8S)-4,6,8-trihydroxy-2,4,6,8-tetraoxo-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetroxatetraphosphocan-2-yl]oxy}phosphoryl]adenosine
    O O HO O O OH O O HO O O HO P P P P
    P0J
    Name:2,4,6,8-tetrahydroxy-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetroxatetraphosphocane-2,4,6,8-tetrone
    Formula:H4 O12 P4
    SMILES:O1P(O)(OP(O)(=O)OP(OP1(=O)O)(=O)O)=O
    InChi:InChI=1S/H4O12P4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h(H,1,2)(H,3,4)(H,5,6)(H,7,8)
    Definition date:2019-07-22
    Last modified:2019-11-01
    Release date:2019-11-06
    Identifier:2,4,6,8-tetrahydroxy-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetroxatetraphosphocane-2,4,6,8-tetrone
    O P P P P P P O O O OH HO O O O HO O O OH O O O HO OH
    P0S
    Name:2,4,6,8,10,12-hexahydroxy-2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~,10lambda~5~,12lambda~5~-cyclohexaphosphoxane-2,4,6,8,10,12-hexone
    Formula:H6 O18 P6
    SMILES:O=P1(OP(=O)(O)OP(O)(OP(OP(OP(O)(O1)=O)(O)=O)(=O)O)=O)O
    InChi:InChI=1S/H6O18P6/c1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19/h(H,1,2)(H,3,4)(H,5,6)(H,7,8)(H,9,10)(H,11,12)
    Definition date:2019-07-22
    Last modified:2019-11-01
    Release date:2019-11-06
    Identifier:2,4,6,8,10,12-hexahydroxy-2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~,10lambda~5~,12lambda~5~-cyclohexaphosphoxane-2,4,6,8,10,12-hexone
    NH CH 3 H 3 C N N H OH O O O O F S
    PUV
    Name:2-fluoro-4-{[(1R)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid
    Formula:C23 H22 F N3 O5 S
    SMILES:c1cc(cc(c1C(O)=O)F)Oc2cc3c(cc2OC)CCNC3(C)CC(Nc4nccs4)=O
    InChi:InChI=1S/C23H22FN3O5S/c1-23(12-20(28)27-22-25-7-8-33-22)16-11-19(18(31-2)9-13(16)5-6-26-23)32-14-3-4-15(21(29)30)17(24)10-14/h3-4,7-11,26H,5-6,12H2,1-2H3,(H,29,30)(H,25,27,28)/t23-/m1/s1
    Definition date:2019-08-26
    Last modified:2019-11-01
    Release date:2019-11-06
    Identifier:2-fluoro-4-{[(1R)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid