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34L
34L
Name:(8Z)-8-(1H-imidazol-5-ylmethylidene)-6,8-dihydro-7H-[1,3]thiazolo[5,4-e]indol-7-one
Formula:C13 H8 N4 O S
SMILES:O=C1Nc4c(C/1=Cc2cncn2)c3scnc3cc4
InChi:InChI=1S/C13H8N4OS/c18-13-8(3-7-4-14-5-15-7)11-9(17-13)1-2-10-12(11)19-6-16-10/h1-6H,(H,14,15)(H,17,18)/b8-3-
Definition date:2014-06-17
Last modified:2015-06-26
Release date:2015-07-01
Identifier:(8Z)-8-(1H-imidazol-5-ylmethylidene)-6,8-dihydro-7H-[1,3]thiazolo[5,4-e]indol-7-one
34U
34U
Name:1-{2-[5-(2-methoxyethoxy)-1H-benzimidazol-1-yl]quinolin-8-yl}piperidin-4-amine
Formula:C24 H27 N5 O2
SMILES:O(C)CCOc1cc2ncn(c2cc1)c4nc3c(cccc3cc4)N5CCC(N)CC5
InChi:InChI=1S/C24H27N5O2/c1-30-13-14-31-19-6-7-21-20(15-19)26-16-29(21)23-8-5-17-3-2-4-22(24(17)27-23)28-11-9-18(25)10-12-28/h2-8,15-16,18H,9-14,25H2,1H3
Definition date:2014-06-17
Last modified:2015-06-26
Release date:2015-07-01
Identifier:1-{2-[5-(2-methoxyethoxy)-1H-benzimidazol-1-yl]quinolin-8-yl}piperidin-4-amine
34W
34W
Name:N-{2-[(1S,4R)-6-{[4-(cyclobutylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1,2,3,4-tetrahydro-1,4-epiminonaphthalen-9-yl]-2-oxoethyl}acetamide
Formula:C23 H25 F3 N6 O2
SMILES:FC(F)(F)c1c(nc(nc1)Nc2cc3c(cc2)C4N(C(=O)CNC(=O)C)C3CC4)NC5CCC5
InChi:InChI=1S/C23H25F3N6O2/c1-12(33)27-11-20(34)32-18-7-8-19(32)16-9-14(5-6-15(16)18)30-22-28-10-17(23(24,25)26)21(31-22)29-13-3-2-4-13/h5-6,9-10,13,18-19H,2-4,7-8,11H2,1H3,(H,27,33)(H2,28,29,30,31)/t18-,19+/m0/s1
Definition date:2014-06-18
Last modified:2015-06-26
Release date:2015-07-01
Identifier:N-{2-[(1S,4R)-6-{[4-(cyclobutylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1,2,3,4-tetrahydro-1,4-epiminonaphthalen-9-yl]-2-oxoethyl}acetamide
35R
35R
Name:1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea
Formula:C19 H23 N7 O2
SMILES:O=C(NC1CC1)Nc2cnnc2c3nc4cc(ccc4n3)CN5CCOCC5
InChi:InChI=1S/C19H23N7O2/c27-19(21-13-2-3-13)24-16-10-20-25-17(16)18-22-14-4-1-12(9-15(14)23-18)11-26-5-7-28-8-6-26/h1,4,9-10,13H,2-3,5-8,11H2,(H,20,25)(H,22,23)(H2,21,24,27)
Definition date:2014-06-20
Last modified:2015-06-26
Release date:2015-07-01
Identifier:1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea
3G5
3G5
Name:4-(6,8-dibromo-3-hydroxy-4-oxo-4H-chromen-2-yl)benzoic acid
Formula:C16 H8 Br2 O5
SMILES:O=C(O)c3ccc(C=2Oc1c(Br)cc(Br)cc1C(=O)C=2O)cc3
InChi:InChI=1S/C16H8Br2O5/c17-9-5-10-12(19)13(20)14(23-15(10)11(18)6-9)7-1-3-8(4-2-7)16(21)22/h1-6,20H,(H,21,22)
Definition date:2014-08-13
Last modified:2015-06-26
Release date:2015-07-01
Identifier:4-(6,8-dibromo-3-hydroxy-4-oxo-4H-chromen-2-yl)benzoic acid
BNJ
BNJ
Name:N-cyclopentyl-3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide
Formula:C14 H16 N2 O3 S2
SMILES:O=C3SC=C(c1cc(ccc1)S(=O)(=O)NC2CCCC2)N3
InChi:InChI=1S/C14H16N2O3S2/c17-14-15-13(9-20-14)10-4-3-7-12(8-10)21(18,19)16-11-5-1-2-6-11/h3-4,7-9,11,16H,1-2,5-6H2,(H,15,17)
Definition date:2014-07-14
Last modified:2015-06-26
Release date:2015-07-01
Identifier:N-cyclopentyl-3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide
BNK
BNK
Name:2-chloro-N-cyclopentyl-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide
Formula:C14 H15 Cl N2 O3 S2
SMILES:O=C3SC=C(c1cc(c(Cl)cc1)S(=O)(=O)NC2CCCC2)N3
InChi:InChI=1S/C14H15ClN2O3S2/c15-11-6-5-9(12-8-21-14(18)16-12)7-13(11)22(19,20)17-10-3-1-2-4-10/h5-8,10,17H,1-4H2,(H,16,18)
Definition date:2014-07-14
Last modified:2015-06-26
Release date:2015-07-01
Identifier:2-chloro-N-cyclopentyl-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide
BNM
BNM
Name:N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
Formula:C18 H21 N3 O4 S2
SMILES:O=C4SC=C(c2cc(cc(NC(=O)C1CC1)c2)S(=O)(=O)NC3CCCC3)N4
InChi:InChI=1S/C18H21N3O4S2/c22-17(11-5-6-11)19-14-7-12(16-10-26-18(23)20-16)8-15(9-14)27(24,25)21-13-3-1-2-4-13/h7-11,13,21H,1-6H2,(H,19,22)(H,20,23)
Definition date:2014-07-15
Last modified:2015-06-26
Release date:2015-07-01
Identifier:N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
4L6
4L6
Name:4-amino-8-(5-methyl-1H-indazol-6-yl)cinnoline-3-carboxamide
Formula:C17 H14 N6 O
SMILES:Cc2cc1cnnc1cc2c3cccc4c3nnc(c4N)C(N)=O
InChi:InChI=1S/C17H14N6O/c1-8-5-9-7-20-21-13(9)6-12(8)10-3-2-4-11-14(18)16(17(19)24)23-22-15(10)11/h2-7H,1H3,(H2,18,22)(H2,19,24)(H,20,21)
Definition date:2015-04-07
Last modified:2015-06-26
Release date:2015-07-01
Identifier:4-amino-8-(5-methyl-1H-indazol-6-yl)cinnoline-3-carboxamide
4LD
4LD
Name:1-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole
Formula:C24 H23 N5 O2
SMILES:COc4cc2c1c(nccc1nc2cc4c3c(C)onc3C)c5c(nnc5C6CC6)C
InChi:InChI=1S/C24H23N5O2/c1-11-21(23(28-27-11)14-5-6-14)24-22-15-10-19(30-4)16(20-12(2)29-31-13(20)3)9-18(15)26-17(22)7-8-25-24/h7-10,14,26H,5-6H2,1-4H3,(H,27,28)
Definition date:2015-04-10
Last modified:2015-06-26
Release date:2015-07-01
Identifier:1-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole
4LX
4LX
Name:N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanethioamide
Formula:C50 H99 N O8 S
SMILES:C(C(C(O)C(CCCCCCCCCCCCCC)O)NC(=S)CCCCCCCCCCCCCCCCCCCCCCCCC)OC1OC(CO)C(O)C(C1O)O
InChi:InChI=1S/C50H99NO8S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-45(60)51-42(41-58-50-49(57)48(56)47(55)44(40-52)59-50)46(54)43(53)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h42-44,46-50,52-57H,3-41H2,1-2H3,(H,51,60)/t42-,43+,44+,46-,47-,48-,49+,50-/m0/s1
Definition date:2015-04-14
Last modified:2015-06-26
Release date:2015-07-01
Identifier:N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanethioamide
4NK
4NK
Name:(1S)-1-carboxy-4-({(1R)-1-carboxy-2-[(S)-{4-[(2S)-2-carboxy-2-(trimethylammonio)ethyl]-1H-imidazol-2-yl}sulfinyl]ethyl}amino)-4-oxobutan-1-aminium
Formula:C17 H29 N5 O8 S
SMILES:OC(C(CCC(=O)NC(C(O)=O)CS(=O)c1ncc(n1)CC(C(=O)O)[N+](C)(C)C)[NH3+])=O
InChi:InChI=1S/C17H27N5O8S/c1-22(2,3)12(16(28)29)6-9-7-19-17(20-9)31(30)8-11(15(26)27)21-13(23)5-4-10(18)14(24)25/h7,10-12H,4-6,8,18H2,1-3H3,(H4-,19,20,21,23,24,25,26,27,28,29)/p+2/t10-,11-,12-,31-/m0/s1
Definition date:2015-04-21
Last modified:2015-06-26
Release date:2015-07-01
Identifier:(1S)-1-carboxy-4-({(1R)-1-carboxy-2-[(S)-{4-[(2S)-2-carboxy-2-(trimethylammonio)ethyl]-1H-imidazol-2-yl}sulfinyl]ethyl}amino)-4-oxobutan-1-aminium
UL4
UL4
Name:3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoic acid
Formula:C18 H17 N O5
SMILES:O=C(O)c1cccc(c1)C(=O)Nc2cc(ccc2OCC)C(=O)C
InChi:InChI=1S/C18H17NO5/c1-3-24-16-8-7-12(11(2)20)10-15(16)19-17(21)13-5-4-6-14(9-13)18(22)23/h4-10H,3H2,1-2H3,(H,19,21)(H,22,23)
Definition date:2014-06-12
Last modified:2015-06-19
Release date:2015-06-24
Identifier:3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoic acid
UGT
UGT
Name:N-[3-[[(3R)-pyrrolidin-3-yl]oxymethyl]phenyl]thiophene-2-carboximidamide
Formula:C16 H19 N3 O S
SMILES:NC(=Nc1cccc(CO[CH]2CCNC2)c1)c3sccc3
InChi:InChI=1S/C16H19N3OS/c17-16(15-5-2-8-21-15)19-13-4-1-3-12(9-13)11-20-14-6-7-18-10-14/h1-5,8-9,14,18H,6-7,10-11H2,(H2,17,19)/t14-/m1/s1
Definition date:2015-03-22
Last modified:2015-06-19
Release date:2015-06-24
Identifier:N'-[3-[[(3R)-pyrrolidin-3-yl]oxymethyl]phenyl]thiophene-2-carboximidamide
41D
41D
Name:3-[2-(2-hydroxyethyl)pyridinium-1-yl]propane-1-sulfonate
Formula:C10 H15 N O4 S
SMILES:[O-]S(=O)(=O)CCC[n+]1ccccc1CCO
InChi:InChI=1S/C10H15NO4S/c12-8-5-10-4-1-2-6-11(10)7-3-9-16(13,14)15/h1-2,4,6,12H,3,5,7-9H2
Definition date:2015-01-09
Last modified:2015-06-19
Release date:2015-06-24
Identifier:3-[2-(2-hydroxyethyl)pyridinium-1-yl]propane-1-sulfonate
48R
48R
Name:(2R)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methyl-N-(methylsulfonyl)propanamide
Formula:C18 H18 N2 O4 S
SMILES:O=S(=O)(NC(=O)C(C)CON=C3/c1ccccc1c2c3cccc2)C
InChi:InChI=1S/C18H18N2O4S/c1-12(18(21)20-25(2,22)23)11-24-19-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12H,11H2,1-2H3,(H,20,21)/t12-/m1/s1
Definition date:2014-06-12
Last modified:2015-06-19
Release date:2015-06-24
Identifier:(2R)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methyl-N-(methylsulfonyl)propanamide
4VU
4VU
Name:(2R)-2-(pyridin-3-yl)-1-azabicyclo[2.2.2]octane
Formula:C12 H16 N2
SMILES:c1cncc(c1)C2N3CCC(C2)CC3
InChi:InChI=1S/C12H16N2/c1-2-11(9-13-5-1)12-8-10-3-6-14(12)7-4-10/h1-2,5,9-10,12H,3-4,6-8H2/t12-/m1/s1
Definition date:2015-06-08
Last modified:2015-06-19
Release date:2015-06-24
Identifier:(2R)-2-(pyridin-3-yl)-1-azabicyclo[2.2.2]octane
39L
39L
Name:[1-fluoro-2-(imidazo[1,2-a]pyridin-3-yl)ethane-1,1-diyl]bis(phosphonic acid)
Formula:C9 H11 F N2 O6 P2
SMILES:O=P(O)(O)C(F)(P(=O)(O)O)Cc1cnc2ccccn12
InChi:InChI=1S/C9H11FN2O6P2/c10-9(19(13,14)15,20(16,17)18)5-7-6-11-8-3-1-2-4-12(7)8/h1-4,6H,5H2,(H2,13,14,15)(H2,16,17,18)
Definition date:2014-07-10
Last modified:2015-06-19
Release date:2015-06-24
Identifier:[1-fluoro-2-(imidazo[1,2-a]pyridin-3-yl)ethane-1,1-diyl]bis(phosphonic acid)
3GK
3GK
Name:N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide
Formula:C16 H10 F3 N7 O
SMILES:FC(F)(F)c1cc(c2ncnc2c1)C(=O)Nc3cccc(c3)c4nnnn4
InChi:InChI=1S/C16H10F3N7O/c17-16(18,19)9-5-11(13-12(6-9)20-7-21-13)15(27)22-10-3-1-2-8(4-10)14-23-25-26-24-14/h1-7H,(H,20,21)(H,22,27)(H,23,24,25,26)
Definition date:2014-08-15
Last modified:2015-06-19
Release date:2015-06-24
Identifier:N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide
8TH
8TH
Name:chloro[(phenylsulfonyl){[4-(4-sulfamoylphenyl)pyridin-2-yl-kappaN]methyl}azanide-kappaN][(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-propylcyclopentadienyl]iridium
Formula:C30 H35 Cl Ir N3 O4 S2
SMILES:O=S(=O)(c1ccccc1)N2Cc8n([Ir]23456(Cl)C7(C)C3(C)C4(C)C5(CCC)C67C)ccc(c8)c9ccc(S(N)(=O)=O)cc9
InChi:InChI=1S/C18H16N3O4S2.C12H19.ClH.Ir/c19-26(22,23)17-8-6-14(7-9-17)15-10-11-20-16(12-15)13-21-27(24,25)18-4-2-1-3-5-18
Definition date:2015-06-11
Last modified:2015-06-19
Release date:2015-06-24
Identifier:chloro[(phenylsulfonyl){[4-(4-sulfamoylphenyl)pyridin-2-yl-kappaN]methyl}azanide-kappaN][(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-propylcyclopentadienyl]iridium
TI4
TI4
Name:(2R,3S,5R,7S)-2-(pyridin-3-yl)-1-azatricyclo[3.3.1.1~3,7~]decane
Formula:C14 H18 N2
SMILES:c1cc(cnc1)C2N3CC4CC2CC(C3)C4
InChi:InChI=1S/C14H18N2/c1-2-12(7-15-3-1)14-13-5-10-4-11(6-13)9-16(14)8-10/h1-3,7,10-11,13-14H,4-6,8-9H2/t10-,11+,13-,14-/m0/s1
Definition date:2015-06-01
Last modified:2015-06-19
Release date:2015-06-24
Identifier:(2R,3S,5R,7S)-2-(pyridin-3-yl)-1-azatricyclo[3.3.1.1~3,7~]decane
ES8
ES8
Name:[(9H-fluoren-9-ylideneamino)oxy]acetic acid
Formula:C15 H11 N O3
SMILES:O=C(O)CON=C3/c1ccccc1c2c3cccc2
InChi:InChI=1S/C15H11NO3/c17-14(18)9-19-16-15-12-7-3-1-5-10(12)11-6-2-4-8-13(11)15/h1-8H,9H2,(H,17,18)
Definition date:2014-06-12
Last modified:2015-06-19
Release date:2015-06-24
Identifier:[(9H-fluoren-9-ylideneamino)oxy]acetic acid
4A7
4A7
Name:2,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide
Formula:C18 H20 N2 O5 S
SMILES:O=S(=O)(c1ccc(OC)cc1OC)Nc2ccc3c(c2)CCC(=O)N3C
InChi:InChI=1S/C18H20N2O5S/c1-20-15-7-5-13(10-12(15)4-9-18(20)21)19-26(22,23)17-8-6-14(24-2)11-16(17)25-3/h5-8,10-11,19H,4,9H2,1-3H3
Definition date:2015-02-19
Last modified:2015-06-19
Release date:2015-06-24
Identifier:2,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide
4A8
4A8
Name:N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-methoxybenzenesulfonamide
Formula:C16 H17 N3 O4 S
SMILES:O=S(=O)(c1ccc(OC)cc1)Nc2ccc3c(c2)N(C(=O)N3C)C
InChi:InChI=1S/C16H17N3O4S/c1-18-14-9-4-11(10-15(14)19(2)16(18)20)17-24(21,22)13-7-5-12(23-3)6-8-13/h4-10,17H,1-3H3
Definition date:2015-02-19
Last modified:2015-06-19
Release date:2015-06-24
Identifier:N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-methoxybenzenesulfonamide
4AE
4AE
Name:N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]benzenesulfonamide
Formula:C22 H21 N3 O5 S
SMILES:O=S(=O)(c1ccccc1)Nc3cc4c(cc3Oc2ccc(OC)cc2)N(C(=O)N4C)C
InChi:InChI=1S/C22H21N3O5S/c1-24-19-13-18(23-31(27,28)17-7-5-4-6-8-17)21(14-20(19)25(2)22(24)26)30-16-11-9-15(29-3)10-12-16/h4-14,23H,1-3H3
Definition date:2015-02-19
Last modified:2015-06-19
Release date:2015-06-24
Identifier:N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]benzenesulfonamide

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