 | | NV2 | | Name: | 5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-yl-benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one | | Formula: | 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 | | Synonyms: | 5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one | | Definition date: | 2019-12-16 | | Last modified: | 2020-06-17 | | Release date: | 2020-01-15 | | Identifier: | 5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-yl-benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one |
|
 | | NVP | | Name: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE | | Formula: | C15 H14 N4 O | | SMILES: | O=C2Nc1c(ccnc1N(c3ncccc23)C4CC4)C | | InChi: | InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20) | | Synonyms: | NON-NUCLEOSIDE RT INHIBITOR NEVIRAPINE | | Definition date: | 2000-08-15 | | Last modified: | 2020-06-17 | | Identifier: | 11-cyclopropyl-4-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one |
|
 | | NWD | | Name: | 3-(5-nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine | | Formula: | C7 H8 N4 O6 | | SMILES: | O=C(O)C(N)CN1C=C(C(=O)NC1=O)[N+]([O-])=O | | InChi: | InChI=1S/C7H8N4O6/c8-3(6(13)14)1-10-2-4(11(16)17)5(12)9-7(10)15/h2-3H,1,8H2,(H,13,14)(H,9,12,15)/t3-/m0/s1 | | Synonyms: | nitrowillardiine | | Definition date: | 2011-05-05 | | Last modified: | 2020-06-17 | | Identifier: | 3-(5-nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine |
|
 | | NWH | | Name: | N-[(2S)-heptan-2-yl]formamide | | Formula: | C8 H17 N O | | SMILES: | CCCCCC(C)NC=O | | InChi: | InChI=1S/C8H17NO/c1-3-4-5-6-8(2)9-7-10/h7-8H,3-6H2,1-2H3,(H,9,10)/t8-/m0/s1 | | Synonyms: | (S)-N-1-methylhexylformamide | | Definition date: | 2017-05-02 | | Last modified: | 2020-06-17 | | Release date: | 2017-05-10 | | Identifier: | N-[(2S)-heptan-2-yl]formamide |
|
 | | 7PP | | Name: | 5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2
-ol | | Formula: | C21 H24 Cl N5 O2 | | SMILES: | Clc1nc(nc2c1c(C#CCC(O)(C)C)cn2Cc3ncc(c(OC)c3C)C)N | | InChi: | InChI=1S/C21H24ClN5O2/c1-12-9-24-15(13(2)17(12)29-5)11-27-10-14(7-6-8-21(3,4)28)16-18(22)25-20(23)26-19(16)27/h9-10,28H,8,11H2,1-5H3,(H2,23,25,26) | | Synonyms: | EC44 | | Definition date: | 2010-06-25 | | Last modified: | 2020-06-17 | | Identifier: | 5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2-ol |
|
 | | 7PT | | Name: | pentalenolactone | | Formula: | C15 H16 O5 | | SMILES: | C1(C4C3(C=C1C)C2(OC2)C(=O)OCC3C(=C4)C(O)=O)C | | InChi: | InChI=1S/C15H16O5/c1-7-4-14-10(8(7)2)3-9(12(16)17)11(14)5-19-13(18)15(14)6-20-15/h3-4,8,10-11H,5-6H2,1-2H3,(H,16,17)/t8-,10-,11+,14-,15-/m1/s1 | | Synonyms: | (2R,4a'S,7'S,7a'R,9a'R)-6',7'-dimethyl-3'-oxo-1',7',7a',9a'-tetrahydro-3'H-spiro[oxirane-2,4'-pentaleno[1,6a-c]pyran]-9
'-carboxylic acid | | Definition date: | 2016-08-04 | | Last modified: | 2020-06-17 | | Release date: | 2016-09-14 | | Identifier: | (2R,4a'S,7'S,7a'R,9a'R)-6',7'-dimethyl-3'-oxo-1',7',7a',9a'-tetrahydro-3'H-spiro[oxirane-2,4'-pentaleno[1,6a-c]pyran]-9'-carboxylic acid |
|
 | | 7RS | | Name: | N~2~-(3,4-difluorophenyl)-N-{2-methyl-5-[(piperazin-1-yl)methyl]phenyl}glycinamide | | Formula: | C20 H24 F2 N4 O | | SMILES: | C3N(Cc1cc(c(C)cc1)NC(=O)CNc2ccc(c(c2)F)F)CCNC3 | | InChi: | InChI=1S/C20H24F2N4O/c1-14-2-3-15(13-26-8-6-23-7-9-26)10-19(14)25-20(27)12-24-16-4-5-17(21)18(22)11-16/h2-5,10-11,23-24H,6-9,12-13H2,1H3,(H,25,27) | | Synonyms: | antagonist GW791343 | | Definition date: | 2016-12-02 | | Last modified: | 2020-06-17 | | Release date: | 2017-01-04 | | Identifier: | N~2~-(3,4-difluorophenyl)-N-{2-methyl-5-[(piperazin-1-yl)methyl]phenyl}glycinamide |
|
 | | 7RV | | Name: | N-{[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methyl}-2-(phenylsulfanyl)pyridine-3-carboxamide | | Formula: | C28 H32 N4 O2 S | | SMILES: | C1COCCC1(CNC(=O)c2cccnc2Sc3ccccc3)N4CCN(CC4)c5ccccc5 | | InChi: | InChI=1S/C28H32N4O2S/c33-26(25-12-7-15-29-27(25)35-24-10-5-2-6-11-24)30-22-28(13-20-34-21-14-28)32-18-16-31(17-19-32)23-8-3-1-4-9-23/h1-12,15H,13-14,16-22H2,(H,30,33) | | Synonyms: | antagonist JNJ47965567 | | Definition date: | 2016-12-02 | | Last modified: | 2020-06-17 | | Release date: | 2017-01-04 | | Identifier: | N-{[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methyl}-2-(phenylsulfanyl)pyridine-3-carboxamide |
|
 | | 7RY | | Name: | N-[2-({2-[(2-hydroxyethyl)amino]ethyl}amino)quinolin-5-yl]-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetamide | | Formula: | C25 H34 N4 O2 | | SMILES: | C(Nc5ccc1c(cccc1NC(CC43CC2CC(CC(C2)C3)C4)=O)n5)CNCCO | | InChi: | InChI=1S/C25H34N4O2/c30-9-8-26-6-7-27-23-5-4-20-21(28-23)2-1-3-22(20)29-24(31)16-25-13-17-10-18(14-25)12-19(11-17)15-25/h1-5,17-19,26,30H,6-16H2,(H,27,28)(H,29,31)/t17-,18+,19-,25- | | Synonyms: | antagonist AZ10606120 | | Definition date: | 2016-12-02 | | Last modified: | 2020-06-17 | | Release date: | 2017-01-04 | | Identifier: | N-[2-({2-[(2-hydroxyethyl)amino]ethyl}amino)quinolin-5-yl]-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetamide |
|
 | | NZA | | Name: | 5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID | | Formula: | C22 H15 Cl2 N O2 S | | SMILES: | Clc1ccc(cc1)Cn4c2ccc(Cl)cc2c(Sc3ccccc3)c4C(=O)O | | InChi: | InChI=1S/C22H15Cl2NO2S/c23-15-8-6-14(7-9-15)13-25-19-11-10-16(24)12-18(19)21(20(25)22(26)27)28-17-4-2-1-3-5-17/h1-12H,13H2,(H,26,27) | | Synonyms: | NTZDPA | | Definition date: | 2007-06-25 | | Last modified: | 2020-06-17 | | Identifier: | 5-chloro-1-(4-chlorobenzyl)-3-(phenylsulfanyl)-1H-indole-2-carboxylic acid |
|
 | | NZO | | Name: | nocodazole | | Formula: | C14 H11 N3 O3 S | | SMILES: | O=C(c2cc1c(nc(NC(=O)OC)n1)cc2)c3sccc3 | | InChi: | InChI=1S/C14H11N3O3S/c1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h2-7H,1H3,(H2,15,16,17,19) | | Synonyms: | methyl [6-(thiophen-2-ylcarbonyl)-1H-benzimidazol-2-yl]carbamate | | Definition date: | 2008-09-04 | | Last modified: | 2020-06-17 | | Identifier: | methyl [6-(thiophen-2-ylcarbonyl)-1H-benzimidazol-2-yl]carbamate |
|
 | | O01 | | Name: | [5-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-3-yl]methanamine | | Formula: | C9 H12 N4 S | | SMILES: | n2c(sc(c1cc(CN)nn1)c2C)C | | InChi: | InChI=1S/C9H12N4S/c1-5-9(14-6(2)11-5)8-3-7(4-10)12-13-8/h3H,4,10H2,1-2H3,(H,12,13) | | Synonyms: | 1-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methanamine | | Definition date: | 2016-08-25 | | Last modified: | 2020-06-17 | | Release date: | 2016-09-07 | | Identifier: | 1-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methanamine |
|
 | | 31I | | Name: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(propan-2-yl)phthalazin-2(1H)-yl]prop-2-en
-1-one | | Formula: | C27 H30 N6 O3 | | SMILES: | O=C(C=Cc1cc(cc(OC)c1OC)Cc2cnc(nc2N)N)N4N=Cc3ccccc3C4C(C)C | | InChi: | InChI=1S/C27H30N6O3/c1-16(2)24-21-8-6-5-7-19(21)15-31-33(24)23(34)10-9-18-11-17(13-22(35-3)25(18)36-4)12-20-14-30-27(29)32-26(20)28/h5-11,13-16,24H,12H2,1-4H3,(H4,28,29,30,32)/b10-9+/t24-/m0/s1 | | Synonyms: | (S,E)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-isopropylphthalazin-2(1H)-yl)prop-2-en-1-one | | Definition date: | 2012-04-17 | | Last modified: | 2020-06-17 | | Release date: | 2013-02-08 | | Identifier: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(propan-2-yl)phthalazin-2(1H)-yl]prop-2-en-1-one |
|
 | | 31S | | Name: | (2Z)-3-(biphenyl-4-yl)-5-(4-chlorophenyl)pent-2-enoic acid | | Formula: | C23 H19 Cl O2 | | SMILES: | Clc1ccc(cc1)CCC(c3ccc(c2ccccc2)cc3)=CC(=O)O | | InChi: | InChI=1S/C23H19ClO2/c24-22-14-7-17(8-15-22)6-9-21(16-23(25)26)20-12-10-19(11-13-20)18-4-2-1-3-5-18/h1-5,7-8,10-16H,6,9H2,(H,25,26)/b21-16- | | Synonyms: | PS315 | | Definition date: | 2014-03-11 | | Last modified: | 2020-06-17 | | Release date: | 2014-05-28 | | Identifier: | (2Z)-3-(biphenyl-4-yl)-5-(4-chlorophenyl)pent-2-enoic acid |
|
 | | O16 | | Name: | 3-(1,3-BENZOTHIAZOL-2-YL)-2-(1,4-DIOXO-1,2,3,4-TETRAHYDROPHTHALAZIN-6-YL)-5-[(E)-2-PHENYLVINYL]-3H-TETRAAZOL-2-IUM | | Formula: | C24 H16 N7 O2 S | | SMILES: | O=C2c1cc(ccc1C(=O)NN2)[n+]5nc(nn5c3nc4ccccc4s3)C=Cc6ccccc6 | | InChi: | InChI=1S/C24H15N7O2S/c32-22-17-12-11-16(14-18(17)23(33)27-26-22)30-28-21(13-10-15-6-2-1-3-7-15)29-31(30)24-25-19-8-4-5-9-20(19)34-24/h1-14H,(H,28,29)/p+1/b13-10+ | | Synonyms: | 2-(2F-BENZOTHIAZOLYL)-5-STYRYL-3-(4F-PHTHALHYDRAZIDYL) TETRAZOLIUM CHLORIDE | | Definition date: | 2003-11-13 | | Last modified: | 2020-06-17 | | Identifier: | 2-(1,3-benzothiazol-2-yl)-3-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-6-yl)-5-[(E)-2-phenylethenyl]-2H-tetrazol-3-ium |
|
 | | 326 | | Name: | 2-{(E)-[5-HYDROXY-3-METHYL-1-(2-METHYL-4-SULFOPHENYL)-1H-PYRAZOL-4-YL]DIAZENYL}-4-SULFOBENZOIC ACID | | Formula: | C18 H16 N4 O9 S2 | | SMILES: | O=S(=O)(O)c3cc(/N=N/c2c(nn(c1c(cc(cc1)S(=O)(=O)O)C)c2O)C)c(C(=O)O)cc3 | | InChi: | InChI=1S/C18H16N4O9S2/c1-9-7-11(32(26,27)28)4-6-15(9)22-17(23)16(10(2)21-22)20-19-14-8-12(33(29,30)31)3-5-13(14)18(24)25/h3-8,23H,1-2H3,(H,24,25)(H,26,27,28)(H,29,30,31)/b20-19+ | | Synonyms: | 2-[5-HYDROXY-3-METHYL-1-(2-METHYL-4-SULFO-PHENYL)-1H-PYRAZOL-4-YLAZO]-4-SULFO-BENZOIC ACID | | Definition date: | 2004-06-17 | | Last modified: | 2020-06-17 | | Identifier: | 2-{(E)-[5-hydroxy-3-methyl-1-(2-methyl-4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl}-4-sulfobenzoic acid |
|
 | | 32M | | Name: | 3,6,9,12,15,18-hexaoxahexacosan-1-ol | | Formula: | C20 H42 O7 | | SMILES: | O(CCOCCCCCCCC)CCOCCOCCOCCOCCO | | InChi: | InChI=1S/C20H42O7/c1-2-3-4-5-6-7-9-22-11-13-24-15-17-26-19-20-27-18-16-25-14-12-23-10-8-21/h21H,2-20H2,1H3 | | Synonyms: | HEXAETHYLENE GLYCOL MONOOCTYL ETHER | | Definition date: | 2014-05-27 | | Last modified: | 2020-06-17 | | Release date: | 2015-09-09 | | Identifier: | 3,6,9,12,15,18-hexaoxahexacosan-1-ol |
|
 | | 331 | | Name: | (2S)-2-(4-[2-(3-[2,4-DIFLUOROPHENYL]-1-HEPTYLUREIDO)ETHYL]PHENOXY)-2-METHYLBUTYRIC ACID | | Formula: | C27 H36 F2 N2 O4 | | SMILES: | Fc1ccc(c(F)c1)NC(=O)N(CCCCCCC)CCc2ccc(OC(C(=O)O)(CC)C)cc2 | | InChi: | InChI=1S/C27H36F2N2O4/c1-4-6-7-8-9-17-31(26(34)30-24-15-12-21(28)19-23(24)29)18-16-20-10-13-22(14-11-20)35-27(3,5-2)25(32)33/h10-15,19H,4-9,16-18H2,1-3H3,(H,30,34)(H,32,33)/t27-/m0/s1 | | Synonyms: | GW2331 | | Definition date: | 2004-11-24 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-2-[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)amino}ethyl)phenoxy]-2-methylbutanoic acid |
|
 | | 334 | | Name: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-6-BROMO-4-METHYLBENZENOLATE | | Formula: | C15 H13 Br N4 O | | SMILES: | Brc3cc(cc(c2nc1cc(ccc1n2)C(=[NH2+])N)c3[O-])C | | InChi: | InChI=1S/C15H13BrN4O/c1-7-4-9(13(21)10(16)5-7)15-19-11-3-2-8(14(17)18)6-12(11)20-15/h2-6,21H,1H3,(H3,17,18)(H,19,20) | | Synonyms: | CRA_9334 | | Definition date: | 2003-03-14 | | Last modified: | 2020-06-17 | | Identifier: | 2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-6-bromo-4-methylphenolate |
|
 | | O33 | | Name: | (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-
L-cysteinyl}amino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide | | Formula: | C40 H45 N5 O7 S2 | | SMILES: | O=C(NC2c1ccccc1CC2O)C6N(C(=O)C(O)C(NC(=O)C(NC(=O)COc4c3ccncc3ccc4)CSC)Cc5ccccc5)CSC6(C)C | | InChi: | InChI=1S/C40H45N5O7S2/c1-40(2)36(38(50)44-34-28-14-8-7-12-25(28)19-31(34)46)45(23-54-40)39(51)35(48)29(18-24-10-5-4-6-11-24)43-37(49)30(22-53-3)42-33(47)21-52-32-15-9-13-26-20-41-17-16-27(26)32/h4-17,20,29-31,34-36,46,48H,18-19,21-23H2,1-3H3,(H,42,47)(H,43,49)(H,44,50)/t29-,30-,31+,34-,35-,36+/m0/s1 | | Synonyms: | KNI-10033 | | Definition date: | 2007-04-18 | | Last modified: | 2020-06-17 | | Identifier: | (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide |
|
 | | O34 | | Name: | yersiniabactin | | Formula: | C21 H27 N3 O4 S3 | | SMILES: | N1=C(SCC1C2NC(CS2)C(O)C(C3=NC(CS3)(C(O)=O)C)(C)C)c4c(O)cccc4 | | InChi: | InChI=1S/C21H27N3O4S3/c1-20(2,18-24-21(3,10-31-18)19(27)28)15(26)12-8-30-17(22-12)13-9-29-16(23-13)11-6-4-5-7-14(11)25/h4-7,12-13,15,17,22,25-26H,8-10H2,1-3H3,(H,27,28)/t12-,13+,15+,17+,21+/m0/s1 | | Synonyms: | (4S)-2-[(1S)-1-hydroxy-1-{(2R,4R)-2-[(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazolidin-4-yl}-2-met
hylpropan-2-yl]-4-methyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid | | Definition date: | 2019-06-05 | | Last modified: | 2020-06-17 | | Release date: | 2020-03-04 | | Identifier: | (4S)-2-[(1S)-1-hydroxy-1-{(2R,4R)-2-[(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazolidin-4-yl}-2-methylpropan-2-yl]-4-methyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid |
|
 | | 346 | | Name: | (R)-(4-CARBAMIMIDOYL-PHENYLAMINO)-[5-ETHOXY-2-FLUORO-3-[(R)-TETRAHYDRO-FURAN-3-YLOXY]-PHENYL]-ACETIC ACID | | Formula: | C21 H24 F N3 O5 | | SMILES: | O=C(O)C(c2c(F)c(OC1CCOC1)cc(OCC)c2)Nc3ccc(C(=[N@H])N)cc3 | | InChi: | InChI=1S/C21H24FN3O5/c1-2-29-15-9-16(18(22)17(10-15)30-14-7-8-28-11-14)19(21(26)27)25-13-5-3-12(4-6-13)20(23)24/h3-6,9-10,14,19,25H,2,7-8,11H2,1H3,(H3,23,24)(H,26,27)/t14-,19-/m1/s1 | | Synonyms: | (2R)-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO){5-ETHOXY-2-FLUORO-3-[(3R)-TETRAHYDROFURAN-3-YLOXY]PHENYL}ACETIC ACID | | Definition date: | 2005-08-11 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-[(4-carbamimidoylphenyl)amino]{5-ethoxy-2-fluoro-3-[(3R)-tetrahydrofuran-3-yloxy]phenyl}ethanoic acid |
|
 | | 34G | | Name: | emetine | | Formula: | C29 H40 N2 O4 | | SMILES: | O(c1cc2c(cc1OC)C(NCC2)CC5CC4c3c(cc(OC)c(OC)c3)CCN4CC5CC)C | | InChi: | InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m1/s1 | | Synonyms: | (3beta,14beta)-6',7',10,11-tetramethoxyemetan | | Definition date: | 2014-06-16 | | Last modified: | 2020-06-17 | | Release date: | 2014-07-16 | | Identifier: | (3beta,14beta)-6',7',10,11-tetramethoxyemetan |
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 | | O48 | | Name: | decyl sulfamate | | Formula: | C10 H23 N O3 S | | SMILES: | O=S(=O)(OCCCCCCCCCC)N | | InChi: | InChI=1S/C10H23NO3S/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-10H2,1H3,(H2,11,12,13) | | Synonyms: | n-decyl sulfamate | | Definition date: | 2009-07-20 | | Last modified: | 2020-06-17 | | Identifier: | decyl sulfamate |
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 | | 356 | | Name: | 8-[(3R)-3-Aminopiperidin-1-yl]-7-but-2-yn-1-yl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-d
ione | | Formula: | C25 H28 N8 O2 | | SMILES: | O=C2N(c1nc(n(c1C(=O)N2Cc4nc3ccccc3c(n4)C)CC#CC)N5CCCC(N)C5)C | | InChi: | InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1 | | Synonyms: | Linagliptin | | Definition date: | 2007-10-10 | | Last modified: | 2020-06-17 | | Identifier: | 8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-yn-1-yl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
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