Quick search:
    Go to Chemie search
    NH 2 HO NH 2 OH
    078
    Name:(2R,3R,4R,5S)-3,5-bis(azanyl)-1,6-diphenyl-hexane-2,4-diol
    Formula:C18 H24 N2 O2
    SMILES:OC(Cc1ccccc1)C(N)C(O)C(N)Cc2ccccc2
    InChi:InChI=1S/C18H24N2O2/c19-15(11-13-7-3-1-4-8-13)18(22)17(20)16(21)12-14-9-5-2-6-10-14/h1-10,15-18,21-22H,11-12,19-20H2/t15-,16+,17+,18+/m0/s1
    Definition date:2011-09-19
    Last modified:2012-08-10
    Identifier:2,4-diamino-1,2,4,6-tetradeoxy-1,6-diphenyl-D-glucitol
    HO HO NH 2 N H N H O O O H 3 C CH 3
    079
    Name:(S)-N-((2S,3S,4R,5R)-4-amino-3,5-dihydroxy-1,6-diphenylhexan-2-yl)-3-methyl-2-(2-phenoxyacetamido)butanamide
    Formula:C31 H39 N3 O5
    SMILES:O=C(NC(Cc1ccccc1)C(O)C(N)C(O)Cc2ccccc2)C(NC(=O)COc3ccccc3)C(C)C
    InChi:InChI=1S/C31H39N3O5/c1-21(2)29(34-27(36)20-39-24-16-10-5-11-17-24)31(38)33-25(18-22-12-6-3-7-13-22)30(37)28(32)26(35)19-23-14-8-4-9-15-23/h3-17,21,25-26,28-30,35,37H,18-20,32H2,1-2H3,(H,33,38)(H,34,36)/t25-,26+,28+,29-,30+/m0/s1
    Definition date:2011-09-19
    Last modified:2012-08-10
    Identifier:4-amino-1,2,4,6-tetradeoxy-2-{[N-(phenoxyacetyl)-L-valyl]amino}-1,6-diphenyl-D-glucitol
    O O H 3 C O O CH 3 OH OH
    07B
    Name:dimethyl (1S,2S,4S,5S)-4,5-dihydroxycyclohexane-1,2-dicarboxylate
    Formula:C10 H16 O6
    SMILES:O=C(OC)C1CC(O)C(O)CC1C(=O)OC
    InChi:InChI=1S/C10H16O6/c1-15-9(13)5-3-7(11)8(12)4-6(5)10(14)16-2/h5-8,11-12H,3-4H2,1-2H3/t5-,6-,7-,8-/m0/s1
    Definition date:2010-09-10
    Last modified:2011-10-14
    Identifier:dimethyl (1S,2S,4S,5S)-4,5-dihydroxycyclohexane-1,2-dicarboxylate
    O OH OH OH O H 3 C OH
    07E
    Name:(3S)-3-hydroxybutyl beta-D-xylopyranoside
    Formula:C9 H18 O6
    SMILES:O(CCC(O)C)C1OCC(O)C(O)C1O
    InChi:InChI=1S/C9H18O6/c1-5(10)2-3-14-9-8(13)7(12)6(11)4-15-9/h5-13H,2-4H2,1H3/t5-,6+,7-,8+,9+/m0/s1
    Synonyms:(3S)-3-hydroxybutyl beta-D-xyloside
    Definition date:2011-09-23
    Last modified:2020-07-17
    Release date:2017-07-12
    Identifier:(3S)-3-hydroxybutyl beta-D-xylopyranoside
    Cl CH 3 H 3 C CH 3 NH HO O N H O + O N F F
    07G
    Name:2-(tert-butylamino)-1-(2-carboxy-6-chloro-1H-indol-3-yl)-1-[(3,4-difluorobenzyl)(formyl)amino]-2-oxoethylium
    Formula:C23 H21 Cl F2 N3 O4
    SMILES:Fc1ccc(cc1F)CN(C=O)[C+](c3c2ccc(Cl)cc2nc3C(=O)O)C(=O)NC(C)(C)C
    InChi:InChI=1S/C23H20ClF2N3O4/c1-23(2,3)28-21(31)20(29(11-30)10-12-4-7-15(25)16(26)8-12)18-14-6-5-13(24)9-17(14)27-19(18)22(32)33/h4-9,11,27H,10H2,1-3H3,(H-,28,31,32,33)/p+1
    Definition date:2011-09-26
    Last modified:2011-10-28
    Identifier:2-(tert-butylamino)-1-(2-carboxy-6-chloro-1H-indol-3-yl)-1-[(3,4-difluorobenzyl)(formyl)amino]-2-oxoethylium
    N N H O N N O
    07H
    Name:[4-(2H-chromen-3-ylmethyl)piperazin-1-yl]-[3-(1H-pyrazol-5-yl)phenyl]methanone
    Formula:C24 H24 N4 O2
    SMILES:O=C(N1CCN(CC1)CC2=Cc3ccccc3OC2)c4cccc(c4)c5[nH]ncc5
    InChi:InChI=1S/C24H24N4O2/c29-24(21-6-3-5-19(15-21)22-8-9-25-26-22)28-12-10-27(11-13-28)16-18-14-20-4-1-2-7-23(20)30-17-18/h1-9,14-15H,10-13,16-17H2,(H,25,26)
    Definition date:2011-09-26
    Last modified:2011-10-14
    Identifier:[4-(2H-chromen-3-ylmethyl)piperazin-1-yl]-[3-(1H-pyrazol-5-yl)phenyl]methanone
    N N NH N N H 3 C N H Cl O CH 3 O O CH 3 Cl N CH 3
    07J
    Name:3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-{[4-(4-ethylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1-methylurea
    Formula:C26 H31 Cl2 N7 O3
    SMILES:Clc1c(OC)cc(OC)c(Cl)c1NC(=O)N(c2ncnc(c2)Nc4ccc(N3CCN(CC)CC3)cc4)C
    InChi:InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
    Synonyms:BGJ398
    Definition date:2011-09-27
    Last modified:2020-06-17
    Identifier:3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-{[4-(4-ethylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1-methylurea
    N NH 2 CH 3
    07K
    Name:8-methylquinolin-4-amine
    Formula:C10 H10 N2
    SMILES:n1ccc(c2cccc(c12)C)N
    InChi:InChI=1S/C10H10N2/c1-7-3-2-4-8-9(11)5-6-12-10(7)8/h2-6H,1H3,(H2,11,12)
    Definition date:2011-09-29
    Last modified:2011-10-21
    Identifier:8-methylquinolin-4-amine
    O O HO
    07L
    Name:7-hydroxy-2H-chromen-2-one
    Formula:C9 H6 O3
    SMILES:O=C2Oc1cc(O)ccc1C=C2
    InChi:InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H
    Synonyms:7-hydroxycoumarin
    Definition date:2011-09-29
    Last modified:2011-10-07
    Identifier:7-hydroxy-2H-chromen-2-one
    N N S OH N N O
    07M
    Name:8-{[(2-cyanopyridin-3-yl)methyl]sulfanyl}-6-hydroxy-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
    Formula:C16 H12 N4 O2 S
    SMILES:N#Cc1ncccc1CSc2nc(O)c(C#N)c3c2COCC3
    InChi:InChI=1S/C16H12N4O2S/c17-6-12-11-3-5-22-8-13(11)16(20-15(12)21)23-9-10-2-1-4-19-14(10)7-18/h1-2,4H,3,5,8-9H2,(H,20,21)
    Definition date:2011-09-29
    Last modified:2011-10-28
    Identifier:8-{[(2-cyanopyridin-3-yl)methyl]sulfanyl}-6-hydroxy-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
    HO O S N F N CH 3 N H O N H Cl Cl
    07N
    Name:2-[(3S,4R)-4-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}-3-fluoropiperidin-1-yl]-1,3-thiazole-5-carboxylic acid
    Formula:C15 H15 Cl2 F N4 O3 S
    SMILES:Clc1c(Cl)c(nc1C(=O)NC3C(F)CN(c2ncc(s2)C(=O)O)CC3)C
    InChi:InChI=1S/C15H15Cl2FN4O3S/c1-6-10(16)11(17)12(20-6)13(23)21-8-2-3-22(5-7(8)18)15-19-4-9(26-15)14(24)25/h4,7-8,20H,2-3,5H2,1H3,(H,21,23)(H,24,25)/t7-,8+/m0/s1
    Definition date:2011-09-30
    Last modified:2011-11-11
    Identifier:2-[(3S,4R)-4-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}-3-fluoropiperidin-1-yl]-1,3-thiazole-5-carboxylic acid
    OH O NH 2 H 3 C O S
    07O
    Name:S-[(2S)-2-phenylpropanoyl]-L-cysteine
    Formula:C12 H15 N O3 S
    SMILES:O=C(O)C(N)CSC(=O)C(c1ccccc1)C
    InChi:InChI=1S/C12H15NO3S/c1-8(9-5-3-2-4-6-9)12(16)17-7-10(13)11(14)15/h2-6,8,10H,7,13H2,1H3,(H,14,15)/t8-,10-/m0/s1
    Definition date:2011-09-30
    Last modified:2011-10-21
    Identifier:S-[(2S)-2-phenylpropanoyl]-L-cysteine
    OH OH HN O CH 3 CH 3 OH O O OH OH
    07P
    Name:N-[(2S,3R)-10-[(1R,2R)-2-decylcyclopropyl]-1-(alpha-D-galactopyranosyloxy)-3-hydroxydecan-2-yl]hexacosanamide
    Formula:C55 H107 N O8
    SMILES:O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)CCCCCCCC2CC2CCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCC
    InChi:InChI=1S/C55H107NO8/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-34-38-42-51(59)56-48(45-63-55-54(62)53(61)52(60)50(44-57)64-55)49(58)41-37-33-30-32-36-40-47-43-46(47)39-35-31-28-12-10-8-6-4-2/h46-50,52-55,57-58,60-62H,3-45H2,1-2H3,(H,56,59)/t46-,47-,48+,49-,50-,52+,53+,54-,55+/m1/s1
    Synonyms:SMC124
    Definition date:2011-10-03
    Last modified:2020-06-17
    Identifier:N-[(2S,3R)-10-[(1R,2R)-2-decylcyclopropyl]-1-(alpha-D-galactopyranosyloxy)-3-hydroxydecan-2-yl]hexacosanamide
    S N N N H O CH 3 O CH 3 N H
    07Q
    Name:1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
    Formula:C18 H18 N4 O2 S
    SMILES:COc1cccc(c1)[CH](C)NC(=O)Nc2scc(n2)c3ccncc3
    InChi:InChI=1S/C18H18N4O2S/c1-12(14-4-3-5-15(10-14)24-2)20-17(23)22-18-21-16(11-25-18)13-6-8-19-9-7-13/h3-12H,1-2H3,(H2,20,21,22,23)/t12-/m1/s1
    Definition date:2011-10-03
    Last modified:2012-02-10
    Identifier:1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
    N H S N N O OH HN
    07R
    Name:1-[(3-hydroxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
    Formula:C16 H14 N4 O2 S
    SMILES:Oc1cccc(CNC(=O)Nc2scc(n2)c3ccncc3)c1
    InChi:InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22)
    Definition date:2011-10-03
    Last modified:2012-08-17
    Identifier:1-[(3-hydroxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
    N N N O O N N H N S N
    07S
    Name:1-(morpholin-4-yl)-2-[4-(2-{[5-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}pyridin-4-yl)piperazin-1-yl]ethanone
    Formula:C23 H27 N7 O2 S
    SMILES:O=C(N1CCOCC1)CN5CCN(c2cc(ncc2)Nc3ncc(s3)c4cccnc4)CC5
    InChi:InChI=1S/C23H27N7O2S/c31-22(30-10-12-32-13-11-30)17-28-6-8-29(9-7-28)19-3-5-25-21(14-19)27-23-26-16-20(33-23)18-2-1-4-24-15-18/h1-5,14-16H,6-13,17H2,(H,25,26,27)
    Definition date:2011-10-03
    Last modified:2012-04-06
    Identifier:1-(morpholin-4-yl)-2-[4-(2-{[5-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}pyridin-4-yl)piperazin-1-yl]ethanone
    NH 2 N N O S O H 3 C S CH 3 N
    07T
    Name:6-(3-aminobenzyl)-4-methyl-2-methylsulfinyl-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one
    Formula:C17 H16 N4 O2 S2
    SMILES:O=C1N(N=Cc3c1n(c2cc(sc23)S(=O)C)C)Cc4cccc(N)c4
    InChi:InChI=1S/C17H16N4O2S2/c1-20-13-7-14(25(2)23)24-16(13)12-8-19-21(17(22)15(12)20)9-10-4-3-5-11(18)6-10/h3-8H,9,18H2,1-2H3/t25-/m1/s1
    Definition date:2011-10-05
    Last modified:2012-09-07
    Release date:2012-09-07
    Identifier:6-(3-aminobenzyl)-4-methyl-2-[(R)-methylsulfinyl]-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one
    N N NH N H 3 C H 2 N CH 3
    07U
    Name:2-methyl-N~1~-[3-(pyridin-4-yl)-2,6-naphthyridin-1-yl]propane-1,2-diamine
    Formula:C17 H19 N5
    SMILES:n2cc1cc(nc(c1cc2)NCC(N)(C)C)c3ccncc3
    InChi:InChI=1S/C17H19N5/c1-17(2,18)11-21-16-14-5-8-20-10-13(14)9-15(22-16)12-3-6-19-7-4-12/h3-10H,11,18H2,1-2H3,(H,21,22)
    Definition date:2011-10-06
    Last modified:2011-11-25
    Identifier:2-methyl-N~1~-[3-(pyridin-4-yl)-2,6-naphthyridin-1-yl]propane-1,2-diamine
    O H 3 C CH 3 CH 2
    07V
    Name:(5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one
    Formula:C10 H14 O
    SMILES:O=C1C(=CCC(C(=C)\C)C1)C
    InChi:InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m1/s1
    Synonyms:R-carvone
    Definition date:2011-10-07
    Last modified:2020-06-17
    Release date:2012-09-21
    Identifier:(5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one
    OH O O N NH 2 S N N H
    07Z
    Name:4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzoic acid
    Formula:C16 H12 N4 O3 S
    SMILES:O=C(O)c3ccc(Nc1nc(c(s1)C(=O)c2cccnc2)N)cc3
    InChi:InChI=1S/C16H12N4O3S/c17-14-13(12(21)10-2-1-7-18-8-10)24-16(20-14)19-11-5-3-9(4-6-11)15(22)23/h1-8H,17H2,(H,19,20)(H,22,23)
    Definition date:2011-04-18
    Last modified:2012-10-26
    Release date:2012-10-26
    Identifier:4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzoic acid
    N H H 3 C CH 3 N N N O O O O O O
    082
    Name:(5R)-5-(3-{[3-(6-methoxy-1,2-benzoxazol-3-yl)-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl]methyl}phenyl)-5-methyl-1,3-oxazolidine-2,4-dione
    Formula:C26 H20 N4 O6
    SMILES:O=C1NC(=O)OC1(c2cccc(c2)CN6c3ccccc3N(c5noc4cc(OC)ccc45)C6=O)C
    InChi:InChI=1S/C26H20N4O6/c1-26(23(31)27-24(32)35-26)16-7-5-6-15(12-16)14-29-19-8-3-4-9-20(19)30(25(29)33)22-18-11-10-17(34-2)13-21(18)36-28-22/h3-13H,14H2,1-2H3,(H,27,31,32)/t26-/m1/s1
    Definition date:2011-10-10
    Last modified:2011-11-18
    Identifier:(5R)-5-(3-{[3-(6-methoxy-1,2-benzoxazol-3-yl)-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl]methyl}phenyl)-5-methyl-1,3-oxazolidine-2,4-dione
    N N NH 2 N H 3 C N CH 3 N
    083
    Name:4,6-dimethyl-N'-(3-pyridin-2-ylisoquinolin-1-yl)pyrimidine-2-carboximidamide
    Formula:C21 H18 N6
    SMILES:n1c(cc(nc1C(=N/c4nc(c2ncccc2)cc3c4cccc3)/N)C)C
    InChi:InChI=1S/C21H18N6/c1-13-11-14(2)25-21(24-13)19(22)27-20-16-8-4-3-7-15(16)12-18(26-20)17-9-5-6-10-23-17/h3-12H,1-2H3,(H2,22,26,27)
    Definition date:2013-03-21
    Last modified:2014-09-05
    Release date:2013-05-22
    Identifier:4,6-dimethyl-N'-[3-(pyridin-2-yl)isoquinolin-1-yl]pyrimidine-2-carboximidamide
    F N CH 3 F F N H N N CH 3 N N H
    084
    Name:4-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN-4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)-1H-IMIDAZOL-2-YL]-PIPERIDINE
    Formula:C28 H29 F3 N6
    SMILES:FC(F)(F)c5cccc(c1nc(n(c1c2nc(ncc2)NC(c3ccccc3)C)C)C4CCNCC4)c5
    InChi:InChI=1S/C28H29F3N6/c1-18(19-7-4-3-5-8-19)34-27-33-16-13-23(35-27)25-24(21-9-6-10-22(17-21)28(29,30)31)36-26(37(25)2)20-11-14-32-15-12-20/h3-10,13,16-18,20,32H,11-12,14-15H2,1-2H3,(H,33,34,35)/t18-/m0/s1
    Definition date:2003-03-25
    Last modified:2011-06-04
    Identifier:4-{1-methyl-2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl}-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
    N N H 2 N O N H O O
    085
    Name:4-[5-(1,3-benzodioxol-5-yl)-4-(pyridin-2-yl)-1H-imidazol-2-yl]benzamide
    Formula:C22 H16 N4 O3
    SMILES:O=C(N)c1ccc(cc1)c5nc(c2ncccc2)c(c3ccc4OCOc4c3)n5
    InChi:InChI=1S/C22H16N4O3/c23-21(27)13-4-6-14(7-5-13)22-25-19(20(26-22)16-3-1-2-10-24-16)15-8-9-17-18(11-15)29-12-28-17/h1-11H,12H2,(H2,23,27)(H,25,26)
    Synonyms:SB431542
    Definition date:2011-10-11
    Last modified:2020-06-17
    Identifier:4-[5-(1,3-benzodioxol-5-yl)-4-(pyridin-2-yl)-1H-imidazol-2-yl]benzamide
    H 2 N O N N H 3 C N H O HN Cl Cl Cl
    087
    Name:2-chloro-6-(4-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}piperidin-1-yl)pyridine-4-carboxamide
    Formula:C17 H18 Cl3 N5 O2
    SMILES:Clc1c(Cl)c(nc1C(=O)NC3CCN(c2nc(Cl)cc(C(=O)N)c2)CC3)C
    InChi:InChI=1S/C17H18Cl3N5O2/c1-8-13(19)14(20)15(22-8)17(27)23-10-2-4-25(5-3-10)12-7-9(16(21)26)6-11(18)24-12/h6-7,10,22H,2-5H2,1H3,(H2,21,26)(H,23,27)
    Definition date:2011-10-12
    Last modified:2012-01-06
    Identifier:2-chloro-6-(4-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}piperidin-1-yl)pyridine-4-carboxamide
    169117
    PDB entries from 2020-09-23