 | | 2S0 | | Name: | [(8S,11R,13S,14S,17R)-17-acetyl-11-[4-(dimethylamino)phenyl]-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopen
ta[a]phenanthren-17-yl] acetate | | Formula: | C30 H37 N O4 | | SMILES: | O=C5C=C1C(=C3C(CC1)C4C(C)(CC3c2ccc(N(C)C)cc2)C(OC(=O)C)(C(=O)C)CC4)CC5 | | InChi: | InChI=1S/C30H37NO4/c1-18(32)30(35-19(2)33)15-14-27-25-12-8-21-16-23(34)11-13-24(21)28(25)26(17-29(27,30)3)20-6-9-22(10-7-20)31(4)5/h6-7,9-10,16,25-27H,8,11-15,17H2,1-5H3/t25-,26+,27-,29-,30-/m0/s1 | | Synonyms: | ulipristal acetate | | Definition date: | 2014-06-19 | | Last modified: | 2020-06-17 | | Release date: | 2014-10-08 | | Identifier: | (11alpha,13alpha,17beta)-17-acetyl-11-[4-(dimethylamino)phenyl]-3-oxoestra-4,9-dien-17-yl acetate |
|
 | | FWD | | Name: | 2-AMINO-3-(5-FLUORO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID | | Formula: | C7 H8 F N3 O4 | | SMILES: | O=C(O)C(N)CN1C=C(F)C(=O)NC1=O | | InChi: | InChI=1S/C7H8FN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1 | | Synonyms: | FLUORO-WILLARDIINE | | Definition date: | 2002-09-20 | | Last modified: | 2020-06-17 | | Identifier: | 3-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine |
|
 | | 2SJ | | Name: | N-[(7S)-10-hydroxy-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide | | Formula: | C21 H23 N O6 | | SMILES: | O=C3C=C2C(c1c(cc(OC)c(OC)c1OC)CCC2NC(=O)C)=CC=C3O | | InChi: | InChI=1S/C21H23NO6/c1-11(23)22-15-7-5-12-9-18(26-2)20(27-3)21(28-4)19(12)13-6-8-16(24)17(25)10-14(13)15/h6,8-10,15H,5,7H2,1-4H3,(H,22,23)(H,24,25)/t15-/m0/s1 | | Synonyms: | Colchiceine | | Definition date: | 2014-01-21 | | Last modified: | 2020-06-17 | | Release date: | 2014-01-29 | | Identifier: | N-[(7S)-10-hydroxy-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide |
|
 | | FXA | | Name: | N-(2-(((5-CHLORO-2-PYRIDINYL)AMINO)SULFONYL)PHENYL)-4-(2-OXO-1(2H)-PYRIDINYL)BENZAMIDE | | Formula: | C23 H17 Cl N4 O4 S | | SMILES: | Clc1ccc(nc1)NS(=O)(=O)c2ccccc2NC(=O)c3ccc(cc3)N4C=CC=CC4=O | | InChi: | InChI=1S/C23H17ClN4O4S/c24-17-10-13-21(25-15-17)27-33(31,32)20-6-2-1-5-19(20)26-23(30)16-8-11-18(12-9-16)28-14-4-3-7-22(28)29/h1-15H,(H,25,27)(H,26,30) | | Synonyms: | N-{2-[(5-chloropyridin-2-yl)sulfamoyl]phenyl}-4-(2-oxopyridin-1(2H)-yl)benzamide | | Definition date: | 2008-03-06 | | Last modified: | 2020-06-17 | | Identifier: | N-{2-[(5-chloropyridin-2-yl)sulfamoyl]phenyl}-4-(2-oxopyridin-1(2H)-yl)benzamide |
|
 | | FXM | | Name: | 2,2-dimethylpropanoyloxymethyl
(2R)-5-(aminocarbonyloxymethyl)-2-[(1R)-1-[[(Z)-2-(2-azanyl-1,3-thiazol-4-yl)pent-2-enoyl]amino]-2-oxidanylidene-ethyl]-
3,6-dihydro-2H-1,3-thiazine-4-carboxylate | | Formula: | C23 H31 N5 O8 S2 | | SMILES: | CCC=C(C(=O)N[CH](C=O)[CH]1NC(=C(COC(N)=O)CS1)C(=O)OCOC(=O)C(C)(C)C)c2csc(N)n2 | | InChi: | InChI=1S/C23H31N5O8S2/c1-5-6-13(15-10-38-21(24)27-15)17(30)26-14(7-29)18-28-16(12(9-37-18)8-34-22(25)33)19(31)35-11-36-20(32)23(2,3)4/h6-7,10,14,18,28H,5,8-9,11H2,1-4H3,(H2,24,27)(H2,25,33)(H,26,30)/b13-6-/t14-,18-/m1/s1 | | Synonyms: | FLOMOX open form | | Definition date: | 2005-11-16 | | Last modified: | 2020-06-17 | | Identifier: | 2,2-dimethylpropanoyloxymethyl (2R)-5-(aminocarbonyloxymethyl)-2-[(1R)-1-[[(Z)-2-(2-azanyl-1,3-thiazol-4-yl)pent-2-enoyl]amino]-2-oxidanylidene-ethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylate |
|
 | | FXN | | Name: | 5-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID-(2-MERCAPTO-ETHYL)-AMIDE | | Formula: | C11 H11 F N2 O S | | SMILES: | Fc1cc2c(cc1)nc(c2)C(=O)NCCS | | InChi: | InChI=1S/C11H11FN2OS/c12-8-1-2-9-7(5-8)6-10(14-9)11(15)13-3-4-16/h1-2,5-6,14,16H,3-4H2,(H,13,15) | | Synonyms: | FICA | | Definition date: | 2004-02-27 | | Last modified: | 2020-06-17 | | Identifier: | 5-fluoro-N-(2-sulfanylethyl)-1H-indole-2-carboxamide |
|
 | | 2TM | | Name: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine | | Formula: | C10 H18 N3 O13 P3 | | SMILES: | O=P(O)(O)OP(=O)(O)CP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O | | InChi: | InChI=1S/C10H18N3O13P3/c11-6-1-2-13(10(16)12-6)9-8(15)7(14)5(25-9)3-24-27(17,18)4-28(19,20)26-29(21,22)23/h1-2,5,7-9,14-15H,3-4H2,(H,17,18)(H,19,20)(H2,11,12,16)(H2,21,22,23)/t5-,7-,8-,9-/m1/s1 | | Synonyms: | CMPcPP | | Definition date: | 2014-01-30 | | Last modified: | 2020-06-17 | | Release date: | 2014-05-07 | | Identifier: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine |
|
 | | 2TV | | Name: | (2R,5Z)-5-[(acetyloxy)methylidene]-2-[(1R)-1-(formylamino)-2-oxoethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | | Formula: | C11 H12 N2 O6 S | | SMILES: | O=CC(NC=O)C1N=C(C(=COC(=O)C)CS1)C(=O)O | | InChi: | InChI=1S/C11H12N2O6S/c1-6(16)19-3-7-4-20-10(8(2-14)12-5-15)13-9(7)11(17)18/h2-3,5,8,10H,4H2,1H3,(H,12,15)(H,17,18)/b7-3+/t8-,10-/m1/s1 | | Synonyms: | N-formyl 7-aminocephalosporanic acid, bound form | | Definition date: | 2014-01-30 | | Last modified: | 2020-06-17 | | Release date: | 2014-05-28 | | Identifier: | (2R,5Z)-5-[(acetyloxy)methylidene]-2-[(1R)-1-(formylamino)-2-oxoethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
|
 | | 2TX | | Name: | (3S)-2,2-dimethyl-3-[(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-yl]oxirane | | Formula: | C30 H50 O | | SMILES: | O1C(C)(C)C1CCC(=CCCC(=C/CCC=C(/C)CCC=C(/C)CCC=C(/C)C)/C)C | | InChi: | InChI=1S/C30H50O/c1-24(2)14-11-17-27(5)20-12-18-25(3)15-9-10-16-26(4)19-13-21-28(6)22-23-29-30(7,8)31-29/h14-16,20-21,29H,9-13,17-19,22-23H2,1-8H3/b25-15+,26-16+,27-20+,28-21+/t29-/m0/s1 | | Synonyms: | 2,3-Oxidosqualene | | Definition date: | 2014-01-31 | | Last modified: | 2020-06-17 | | Release date: | 2015-04-15 | | Identifier: | (3S)-2,2-dimethyl-3-[(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-yl]oxirane |
|
 | | 2UO | | Name: | Mevastatin, Compactin | | Formula: | C23 H34 O5 | | SMILES: | CC[CH](C)C(=O)O[CH]1CCC=C2C=C[CH](C)[CH](CC[CH]3C[CH](O)CC(=O)O3)[CH]12 | | InChi: | InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1 | | Synonyms: | (1S,7S,8S,8aR)-8-{2-[(2R,4R,6R)-4,6-dihydroxytetrahydro-2H-pyran-2-yl]ethyl}-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-
1-yl (2S)-2-methylbutanoate | | Definition date: | 2014-02-12 | | Last modified: | 2020-06-17 | | Release date: | 2015-02-18 | | Identifier: | [(1~{S},7~{S},8~{S},8~{a}~{R})-7-methyl-8-[2-[(2~{R},4~{R})-4-oxidanyl-6-oxidanylidene-oxan-2-yl]ethyl]-1,2,3,7,8,8~{a}-hexahydronaphthalen-1-yl] (2~{S})-2-methylbutanoate |
|
 | | 2V0 | | Name: | (2R)-2-[(R)-amino(carboxy)methyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | | Formula: | C8 H12 N2 O4 S | | SMILES: | O=C(O)C(N)C1SCC(=C(C(=O)O)N1)C | | InChi: | InChI=1S/C8H12N2O4S/c1-3-2-15-6(4(9)7(11)12)10-5(3)8(13)14/h4,6,10H,2,9H2,1H3,(H,11,12)(H,13,14)/t4-,6+/m0/s1 | | Synonyms: | 7-aminodeacetoxycephalosporanic acid, hydrolyzed form | | Definition date: | 2014-02-17 | | Last modified: | 2020-06-17 | | Release date: | 2014-05-28 | | Identifier: | (2R)-2-[(R)-amino(carboxy)methyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
|
 | | 2V4 | | Name: | rabelomycin | | Formula: | C19 H14 O6 | | SMILES: | O=C2c4c(C(=O)c3c1C(=O)CC(O)(C)Cc1cc(O)c23)cccc4O | | InChi: | InChI=1S/C19H14O6/c1-19(25)6-8-5-11(21)15-16(13(8)12(22)7-19)17(23)9-3-2-4-10(20)14(9)18(15)24/h2-5,20-21,25H,6-7H2,1H3/t19-/m1/s1 | | Synonyms: | (3R)-3,6,8-trihydroxy-3-methyl-3,4-dihydrotetraphene-1,7,12(2H)-trione | | Definition date: | 2014-02-19 | | Last modified: | 2020-06-17 | | Release date: | 2014-10-01 | | Identifier: | (3R)-3,6,8-trihydroxy-3-methyl-3,4-dihydrotetraphene-1,7,12(2H)-trione |
|
 | | KWT | | Name: | (1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO-1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO-3H-FURO[4,
3,2-DE]INDENO[4,5-H][2]BENZOPYRAN-11-YL ACETATE | | Formula: | C23 H24 O8 | | SMILES: | O=C3c2occ1C(=O)OC(C(c12)(C5=C3C4C(C(=O)CC4)(C)CC5OC(=O)C)C)COC | | InChi: | InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1 | | Synonyms: | [1S-(1A,6BA,9AB,11A,11BB)]-11-(ACETYLOXY)-1,6B,7,8,9A,10,11,11B-OCTAHYDRO-1-(METHOXYMETHLY)
-9A,11B-DIMETHYL-3H-FURO[4,3,2-DE]INDENL[4,5-H]-2-BENZOPYRAN-3,6,9,TRIONE | | Definition date: | 2000-09-11 | | Last modified: | 2020-06-17 | | Identifier: | (1S,6bR,9aS,11R,11bR)-1-(methoxymethyl)-9a,11b-dimethyl-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3H-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl acetate |
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 | | 2VL | | Name: | N-{3-[6-({4-[(2R)-1,4-dimethyl-3-oxopiperazin-2-yl]phenyl}amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl]-2-methylphenyl
}-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide | | Formula: | C33 H36 N6 O3 S | | SMILES: | O=C1N(C)CCN(C)C1c2ccc(cc2)NC3=NC(=CN(C3=O)C)c4cccc(c4C)NC(=O)c5sc6c(c5)CCCC6 | | InChi: | InChI=1S/C33H36N6O3S/c1-20-24(9-7-10-25(20)36-31(40)28-18-22-8-5-6-11-27(22)43-28)26-19-39(4)33(42)30(35-26)34-23-14-12-21(13-15-23)29-32(41)38(3)17-16-37(29)2/h7,9-10,12-15,18-19,29H,5-6,8,11,16-17H2,1-4H3,(H,34,35)(H,36,40)/t29-/m1/s1 | | Synonyms: | GDC0834 | | Definition date: | 2014-02-25 | | Last modified: | 2020-06-17 | | Release date: | 2015-01-28 | | Identifier: | N-{3-[6-({4-[(2R)-1,4-dimethyl-3-oxopiperazin-2-yl]phenyl}amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl]-2-methylphenyl}-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide |
|
 | | 2XM | | Name: | 2,2'-((4-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-1,2-phenylene)bis(oxy))bis(ethan-1-ol) | | Formula: | C21 H27 N5 O4 S2 | | SMILES: | OCCOc3c(OCCO)cc(c1nc(c(s1)CCC)CSc2nc(N)cc(n2)N)cc3 | | InChi: | InChI=1S/C21H27N5O4S2/c1-2-3-17-14(12-31-21-25-18(22)11-19(23)26-21)24-20(32-17)13-4-5-15(29-8-6-27)16(10-13)30-9-7-28/h4-5,10-11,27-28H,2-3,6-9,12H2,1H3,(H4,22,23,25,26) | | Synonyms: | 2,2'-{[4-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)benzene-1,2-diyl]bis(oxy)}diethanol | | Definition date: | 2014-04-08 | | Last modified: | 2020-06-17 | | Release date: | 2014-11-05 | | Identifier: | 2,2'-{[4-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)benzene-1,2-diyl]bis(oxy)}diethanol |
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 | | KZ9 | | Name: | (S)-4-(3-HYDROXYPHENYL)-2-THIOXO-1,2,3,4,7,8-HEXAHYDROQUINAZOLIN-5(6H)-ONE | | Formula: | C14 H14 N2 O2 S | | SMILES: | O=C3C1=C(NC(=S)NC1c2cccc(O)c2)CCC3 | | InChi: | InChI=1S/C14H14N2O2S/c17-9-4-1-3-8(7-9)13-12-10(15-14(19)16-13)5-2-6-11(12)18/h1,3-4,7,13,17H,2,5-6H2,(H2,15,16,19)/t13-/m0/s1 | | Synonyms: | (4S)-4-(3-hydroxyphenyl)-2-thioxo-2,3,4,6,7,8-hexahydroquinazolin-5(1H)-one | | Definition date: | 2010-02-26 | | Last modified: | 2020-06-17 | | Identifier: | (4S)-4-(3-hydroxyphenyl)-2-thioxo-2,3,4,6,7,8-hexahydroquinazolin-5(1H)-one |
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 | | 2Y0 | | Name: | N-(2-(3-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)phenoxy)ethyl)methanesulfonamide | | Formula: | C20 H26 N6 O3 S3 | | SMILES: | O=S(=O)(NCCOc1cccc(c1)c2nc(c(s2)CCC)CSc3nc(N)cc(n3)N)C | | InChi: | InChI=1S/C20H26N6O3S3/c1-3-5-16-15(12-30-20-25-17(21)11-18(22)26-20)24-19(31-16)13-6-4-7-14(10-13)29-9-8-23-32(2,27)28/h4,6-7,10-11,23H,3,5,8-9,12H2,1-2H3,(H4,21,22,25,26) | | Synonyms: | N-{2-[3-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)phenoxy]ethyl}methanesulfonamide | | Definition date: | 2014-04-09 | | Last modified: | 2020-06-17 | | Release date: | 2015-02-18 | | Identifier: | N-{2-[3-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)phenoxy]ethyl}methanesulfonamide |
|
 | | 2Y2 | | Name: | N-[(2R)-1-{[(2S,3R,5R)-1-cyclohexyl-3-hydroxy-5-{[2-(morpholin-4-yl)ethyl]carbamoyl}oct-7-yn-2-yl]amino}-3-(methylsulfa
nyl)-1-oxopropan-2-yl]-1H-benzimidazole-2-carboxamide | | Formula: | C33 H48 N6 O5 S | | SMILES: | O=C(c2nc1ccccc1n2)NC(C(=O)NC(CC3CCCCC3)C(O)CC(C(=O)NCCN4CCOCC4)CC#C)CSC | | InChi: | InChI=1S/C33H48N6O5S/c1-3-9-24(31(41)34-14-15-39-16-18-44-19-17-39)21-29(40)27(20-23-10-5-4-6-11-23)37-32(42)28(22-45-2)38-33(43)30-35-25-12-7-8-13-26(25)36-30/h1,7-8,12-13,23-24,27-29,40H,4-6,9-11,14-22H2,2H3,(H,34,41)(H,35,36)(H,37,42)(H,38,43)/t24-,27+,28+,29-/m1/s1 | | Synonyms: | CP-108,420 | | Definition date: | 2010-11-10 | | Last modified: | 2020-06-17 | | Identifier: | N-[(2R)-1-{[(2S,3R,5R)-1-cyclohexyl-3-hydroxy-5-{[2-(morpholin-4-yl)ethyl]carbamoyl}oct-7-yn-2-yl]amino}-3-(methylsulfanyl)-1-oxopropan-2-yl]-1H-benzimidazole-2-carboxamide |
|
 | | 2Y4 | | Name: | N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-cyclohexyl-4,4-difluoro-3-hydroxy-5-(methylamino)-5-oxo-pentan-2-yl]amino]-1-oxo-hexan-2
-yl]amino]-1-oxo-3-phenyl-propan-2-yl]morpholine-4-carboxamide | | Formula: | C32 H49 F2 N5 O6 | | SMILES: | O=C(NC(C(=O)NC(C(=O)NC(CC1CCCCC1)C(O)C(F)(F)C(=O)NC)CCCC)Cc2ccccc2)N3CCOCC3 | | InChi: | InChI=1S/C32H49F2N5O6/c1-3-4-15-24(28(41)37-25(20-22-11-7-5-8-12-22)27(40)32(33,34)30(43)35-2)36-29(42)26(21-23-13-9-6-10-14-23)38-31(44)39-16-18-45-19-17-39/h6,9-10,13-14,22,24-27,40H,3-5,7-8,11-12,15-21H2,1-2H3,(H,35,43)(H,36,42)(H,37,41)(H,38,44)/t24-,25-,26-,27+/m0/s1 | | Synonyms: | CP-81,198 | | Definition date: | 2010-11-09 | | Last modified: | 2020-06-17 | | Identifier: | N-[(2S)-1-{[(2S)-1-{[(2S,3R)-1-cyclohexyl-4,4-difluoro-3-hydroxy-5-(methylamino)-5-oxopentan-2-yl]amino}-1-oxohexan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide (non-preferred name) |
|
 | | 2Y8 | | Name: | (R)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine | | Formula: | C19 H22 F N5 O2 S2 | | SMILES: | FCCOc1c(OC)ccc(c1)c2nc(c(s2)C)C(Sc3nc(N)cc(n3)N)C | | InChi: | InChI=1S/C19H22FN5O2S2/c1-10-17(11(2)29-19-23-15(21)9-16(22)24-19)25-18(28-10)12-4-5-13(26-3)14(8-12)27-7-6-20/h4-5,8-9,11H,6-7H2,1-3H3,(H4,21,22,23,24)/t11-/m1/s1 | | Synonyms: | 2-{[(1R)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine | | Definition date: | 2014-04-10 | | Last modified: | 2020-06-17 | | Release date: | 2014-11-05 | | Identifier: | 2-{[(1R)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine |
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 | | KZS | | Name: | N~1~-({5-[4,4-bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl}methyl)-N~1~,N~2~-dimethylethane-1,2-diamine | | Formula: | C20 H38 N4 O2 | | SMILES: | CCOCC1(CCC(CC1)c2nncc2CN(C)CCNC)COCC | | InChi: | InChI=1S/C20H38N4O2/c1-5-25-15-20(16-26-6-2)9-7-17(8-10-20)19-18(13-22-23-19)14-24(4)12-11-21-3/h13,17,21H,5-12,14-16H2,1-4H3,(H,22,23) | | Synonyms: | GSK3368715 | | Definition date: | 2019-01-28 | | Last modified: | 2020-06-17 | | Release date: | 2019-07-10 | | Identifier: | N~1~-({5-[4,4-bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl}methyl)-N~1~,N~2~-dimethylethane-1,2-diamine |
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 | | L00 | | Name: | (2R)-2-(5-{3-chloro-6-((2-methoxyethyl){[(1S,2S)-2-methylcyclopropyl]methyl}amino)-2-[methyl(methylsulfonyl)amino]pyrid
in-4-yl}-1,3,4-oxadiazol-2-yl)-1-phenylpropan-2-amine | | Formula: | C26 H35 Cl N6 O4 S | | SMILES: | O=S(=O)(N(c2nc(N(CC1CC1C)CCOC)cc(c2Cl)c3nnc(o3)C(N)(C)Cc4ccccc4)C)C | | InChi: | InChI=1S/C26H35ClN6O4S/c1-17-13-19(17)16-33(11-12-36-4)21-14-20(22(27)23(29-21)32(3)38(5,34)35)24-30-31-25(37-24)26(2,28)15-18-9-7-6-8-10-18/h6-10,14,17,19H,11-13,15-16,28H2,1-5H3/t17-,19+,26+/m0/s1 | | Synonyms: | N-(4-{5-[(1R)-1-AMINO-1-METHYL-2-PHENYLETHYL]-1,3,4-OXADIAZOL-2-YL}-3-CHLORO-6-[(2-METHOXYETHYL){[(1S,2S)-2-METHYLCYCLO
PROPYL]METHYL}AMINO]PYRIDIN-2-YL)-N-METHYLMETHANESULFONAMIDE | | Definition date: | 2006-11-10 | | Last modified: | 2020-06-17 | | Identifier: | N-(4-{5-[(1R)-1-amino-1-methyl-2-phenylethyl]-1,3,4-oxadiazol-2-yl}-3-chloro-6-[(2-methoxyethyl){[(1S,2S)-2-methylcyclopropyl]methyl}amino]pyridin-2-yl)-N-methylmethanesulfonamide |
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 | | L01 | | Name: | 3-[({(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]-N,N-DIPROPYLBENZAMIDE | | Formula: | C32 H41 N3 O4 | | SMILES: | O=C(N(CCC)CCC)c1cccc(c1)C(=O)NC(Cc2ccccc2)C(O)CNCc3cc(OC)ccc3 | | InChi: | InChI=1S/C32H41N3O4/c1-4-17-35(18-5-2)32(38)27-15-10-14-26(21-27)31(37)34-29(20-24-11-7-6-8-12-24)30(36)23-33-22-25-13-9-16-28(19-25)39-3/h6-16,19,21,29-30,33,36H,4-5,17-18,20,22-23H2,1-3H3,(H,34,37)/t29-,30+/m0/s1 | | Synonyms: | HYDROXYETHYLAMINE BACE INHIBITOR | | Definition date: | 2006-10-19 | | Last modified: | 2020-06-17 | | Identifier: | N'-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-N,N-dipropylbenzene-1,3-dicarboxamide |
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 | | 2YS | | Name: | D-valyl-N-[(2S,3S)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-L-leucinamide | | Formula: | C18 H37 Cl N4 O3 | | SMILES: | O=C(NC(CCCCN)C(O)CCl)C(NC(=O)C(N)C(C)C)CC(C)C | | InChi: | InChI=1S/C18H37ClN4O3/c1-11(2)9-14(23-18(26)16(21)12(3)4)17(25)22-13(15(24)10-19)7-5-6-8-20/h11-16,24H,5-10,20-21H2,1-4H3,(H,22,25)(H,23,26)/t13-,14-,15+,16+/m0/s1 | | Synonyms: | D-VAL-LEU-LYS-chloromethylketone | | Definition date: | 2014-04-29 | | Last modified: | 2020-06-17 | | Release date: | 2014-09-03 | | Identifier: | D-valyl-N-[(2S,3S)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-L-leucinamide |
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 | | 2YT | | Name: | L-phenylalanyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide | | Formula: | C25 H35 Cl N6 O3 | | SMILES: | ClCC(O)C(NC(=O)C(NC(=O)C(N)Cc1ccccc1)Cc2ccccc2)CCCNC(=[N@H])N | | InChi: | InChI=1S/C25H35ClN6O3/c26-16-22(33)20(12-7-13-30-25(28)29)31-24(35)21(15-18-10-5-2-6-11-18)32-23(34)19(27)14-17-8-3-1-4-9-17/h1-6,8-11,19-22,33H,7,12-16,27H2,(H,31,35)(H,32,34)(H4,28,29,30)/t19-,20-,21-,22+/m0/s1 | | Synonyms: | PHE-PHE-ARG-chloromethylketone | | Definition date: | 2014-04-29 | | Last modified: | 2020-06-17 | | Release date: | 2014-09-03 | | Identifier: | L-phenylalanyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide |
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