 | | 40N | | Name: | 6-(2-fluorophenyl)[1,3]dioxolo[4,5-g]quinolin-8(5H)-one | | Formula: | C16 H10 F N O3 | | SMILES: | Fc4ccccc4C=3Nc2cc1OCOc1cc2C(=O)C=3 | | InChi: | InChI=1S/C16H10FNO3/c17-11-4-2-1-3-9(11)12-6-14(19)10-5-15-16(21-8-20-15)7-13(10)18-12/h1-7H,8H2,(H,18,19) | | Definition date: | 2015-01-05 | | Last modified: | 2015-07-02 | | Release date: | 2015-07-07 | | Identifier: | 6-(2-fluorophenyl)[1,3]dioxolo[4,5-g]quinolin-8(5H)-one |
|
 | | 40V | | Name: | N-{[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-8-hydroxy-N-(2-methoxyethyl)-5-nitroquinoline-7-carboxamide | | Formula: | C28 H32 N4 O5 | | SMILES: | [O-][N+](=O)c1cc(c(O)c2ncccc12)C(=O)N(CCOC)CC5CCCN(C4Cc3ccccc3C4)C5 | | InChi: | InChI=1S/C28H32N4O5/c1-37-13-12-31(28(34)24-16-25(32(35)36)23-9-4-10-29-26(23)27(24)33)18-19-6-5-11-30(17-19)22-14-20-7-2-3-8-21(20)15-22/h2-4,7-10,16,19,22,33H,5-6,11-15,17-18H2,1H3/t19-/m1/s1 | | Definition date: | 2015-01-08 | | Last modified: | 2015-07-02 | | Release date: | 2015-07-07 | | Identifier: | N-{[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-8-hydroxy-N-(2-methoxyethyl)-5-nitroquinoline-7-carboxamide |
|
 | | 4U9 | | Name: | 5-[4-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-{[4-(trifluoromethyl)phenyl]ethynyl}pyridine | | Formula: | C23 H11 Br Cl F4 N3 | | SMILES: | C(c3ncc(c2nc(c1c(Cl)cccc1F)nc2Br)cc3)#Cc4ccc(cc4)C(F)(F)F | | InChi: | InChI=1S/C23H11BrClF4N3/c24-21-20(31-22(32-21)19-17(25)2-1-3-18(19)26)14-7-11-16(30-12-14)10-6-13-4-8-15(9-5-13)23(27,28)29/h1-5,7-9,11-12H,(H,31,32) | | Definition date: | 2015-05-27 | | Last modified: | 2015-07-02 | | Release date: | 2015-07-07 | | Identifier: | 5-[4-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-{[4-(trifluoromethyl)phenyl]ethynyl}pyridine |
|
 | | PX9 | | Name: | Pramocaine | | Formula: | C17 H27 N O3 | | SMILES: | O(c2ccc(OCCCN1CCOCC1)cc2)CCCC | | InChi: | InChI=1S/C17H27NO3/c1-2-3-12-20-16-5-7-17(8-6-16)21-13-4-9-18-10-14-19-15-11-18/h5-8H,2-4,9-15H2,1H3 | | Definition date: | 2015-02-06 | | Last modified: | 2015-06-26 | | Release date: | 2015-07-01 | | Identifier: | 4-[3-(4-butoxyphenoxy)propyl]morpholine |
|
 | | XZ8 | | Name: | 4-(1-acetyl-1H-indol-3-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one | | Formula: | C14 H13 N3 O2 | | SMILES: | O=C(n2cc(C=1C(=O)NNC=1C)c3ccccc23)C | | InChi: | InChI=1S/C14H13N3O2/c1-8-13(14(19)16-15-8)11-7-17(9(2)18)12-6-4-3-5-10(11)12/h3-7H,1-2H3,(H2,15,16,19) | | Definition date: | 2014-06-19 | | Last modified: | 2015-06-26 | | Release date: | 2015-07-01 | | Identifier: | 4-(1-acetyl-1H-indol-3-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one |
|
 | | VD9 | | Name: | 4-(propylsulfanyl)benzenesulfonamide | | Formula: | C9 H13 N O2 S2 | | SMILES: | O=S(=O)(c1ccc(SCCC)cc1)N | | InChi: | InChI=1S/C9H13NO2S2/c1-2-7-13-8-3-5-9(6-4-8)14(10,11)12/h3-6H,2,7H2,1H3,(H2,10,11,12) | | Definition date: | 2014-11-10 | | Last modified: | 2015-06-26 | | Release date: | 2015-07-01 | | Identifier: | 4-(propylsulfanyl)benzenesulfonamide |
|
 | | OP0 | | Name: | (2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide | | Formula: | C9 H18 N4 O7 S | | SMILES: | O=CN1C(C(=O)NOCCN)CCC(NOS(=O)(=O)O)C1 | | InChi: | InChI=1S/C9H18N4O7S/c10-3-4-19-12-9(15)8-2-1-7(5-13(8)6-14)11-20-21(16,17)18/h6-8,11H,1-5,10H2,(H,12,15)(H,16,17,18)/t7-,8+/m1/s1 | | Definition date: | 2014-12-09 | | Last modified: | 2015-06-26 | | Release date: | 2015-07-01 | | Identifier: | (2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide |
|
 | | N6T | | Name: | 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]methyl}phosphoryl]-3,4-dihydrothymidine | | Formula: | C11 H20 N3 O12 P3 | | SMILES: | O=P(O)(O)NP(=O)(O)CP(=O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O | | InChi: | InChI=1S/C11H20N3O12P3/c1-6-3-14(11(17)12-10(6)16)9-2-7(15)8(26-9)4-25-28(20,21)5-27(18,19)13-29(22,23)24/h3,7-9,15H,2,4-5H2,1H3,(H,20,21)(H,12,16,17)(H4,13,18,19,22,23,24)/t7-,8+,9+/m0/s1 | | Definition date: | 2014-11-13 | | Last modified: | 2015-06-26 | | Release date: | 2015-07-01 | | Identifier: | 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]methyl}phosphoryl]-3,4-dihydrothymidine |
|
 | | 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 | | 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 | | 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 | | 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 |
|
 | | M6A | | Name: | (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {2-[N'-(methylcarbamoyl)carbamimidamido]ethyl}carbamate | | Formula: | C33 H57 N5 O10 | | SMILES: | CNC(NC(=N)NCCNC(OC2C(C)C(OC(CC)C(C)(O)C1C(C)C(OC(O1)(C)C)C(C)CC(C(C2C)OCC#C)(O)C)=O)=O)=O | | InChi: | InChI=1S/C33H57N5O10/c1-12-16-44-25-20(5)24(46-30(41)37-15-14-36-28(34)38-29(40)35-11)21(6)27(39)45-22(13-2)33(10,43)26-19(4)23(47-31(7,8)48-26)18(3)17-32(25,9)42/h1,18-26,42-43H,13-17H2,2-11H3,(H,37,41)(H4,34,35,36,38,40)/t18-,19+,20+,21-,22-,23+,24+,25-,26-,32-,33-/m1/s1 | | Definition date: | 2015-04-16 | | Last modified: | 2015-06-26 | | Release date: | 2015-07-01 | | Identifier: | (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {2-[N'-(methylcarbamoyl)carbamimidamido]ethyl}carbamate (non-preferred name) |
|
 | | M6B | | Name: | (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {3-[N'-(methylcarbamoyl)carbamimidamido]propyl}carbamate | | Formula: | C34 H59 N5 O10 | | SMILES: | CNC(NC(=N)NCCCNC(OC2C(C)C(OC(C(C)(O)C1C(C)C(OC(O1)(C)C)C(C)CC(C(C2C)OCC#C)(O)C)CC)=O)=O)=O | | InChi: | InChI=1S/C34H59N5O10/c1-12-17-45-26-21(5)25(47-31(42)38-16-14-15-37-29(35)39-30(41)36-11)22(6)28(40)46-23(13-2)34(10,44)27-20(4)24(48-32(7,8)49-27)19(3)18-33(26,9)43/h1,19-27,43-44H,13-18H2,2-11H3,(H,38,42)(H4,35,36,37,39,41)/t19-,20+,21+,22-,23-,24+,25+,26-,27-,33-,34-/m1/s1 | | Definition date: | 2015-04-16 | | Last modified: | 2015-06-26 | | Release date: | 2015-07-01 | | Identifier: | (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {3-[N'-(methylcarbamoyl)carbamimidamido]propyl}carbamate (non-preferred name) |
|
 | | M6E | | Name: | (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {7-[N'-(methylcarbamoyl)carbamimidamido]heptyl}carbamate | | Formula: | C38 H67 N5 O10 | | SMILES: | CNC(N/C(NCCCCCCCNC(=O)OC2C(C(=O)OC(CC)C(O)(C)C1C(C)C(OC(O1)(C)C)C(C)CC(O)(C)C(C2C)OCC#C)C)=N)=O | | InChi: | InChI=1S/C38H67N5O10/c1-12-21-49-30-25(5)29(51-35(46)42-20-18-16-14-15-17-19-41-33(39)43-34(45)40-11)26(6)32(44)50-27(13-2)38(10,48)31-24(4)28(52-36(7,8)53-31)23(3)22-37(30,9)47/h1,23-31,47-48H,13-22H2,2-11H3,(H,42,46)(H4,39,40,41,43,45)/t23-,24+,25+,26-,27-,28+,29+,30-,31-,37-,38-/m1/s1 | | Definition date: | 2015-04-17 | | Last modified: | 2015-06-26 | | Release date: | 2015-07-01 | | Identifier: | (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {7-[N'-(methylcarbamoyl)carbamimidamido]heptyl}carbamate (non-preferred name) |
|
 | | M6F | | Name: | (3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-14-ethyl-7,10,12,13-tetrahydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-6-(prop-2-yn-1-yloxy)oxacyclotetradecan-4-yl {3-[N'-(methylcarbamoyl)carbamimidamido]propyl}carbamate | | Formula: | C31 H55 N5 O10 | | SMILES: | N(C(=O)OC1C(C(=O)OC(CC)C(C)(O)C(O)C(C(O)C(C)CC(C(C1C)OCC#C)(O)C)C)C)CCCNC(=N)NC(=O)NC | | InChi: | InChI=1S/C31H55N5O10/c1-10-15-44-25-19(5)23(46-29(41)35-14-12-13-34-27(32)36-28(40)33-9)20(6)26(39)45-21(11-2)31(8,43)24(38)18(4)22(37)17(3)16-30(25,7)42/h1,17-25,37-38,42-43H,11-16H2,2-9H3,(H,35,41)(H4,32,33,34,36,40)/t17-,18+,19+,20-,21-,22+,23+,24-,25-,30-,31-/m1/s1 | | Definition date: | 2015-04-17 | | Last modified: | 2015-06-26 | | Release date: | 2015-07-01 | | Identifier: | (3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-14-ethyl-7,10,12,13-tetrahydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-6-(prop-2-yn-1-yloxy)oxacyclotetradecan-4-yl {3-[N'-(methylcarbamoyl)carbamimidamido]propyl}carbamate (non-preferred name) |
|
 | | M6G | | Name: | (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {5-[N'-(methylcarbamoyl)carbamimidamido]pentyl}carbamate | | Formula: | C36 H63 N5 O10 | | SMILES: | C2(OC(C(C)(O)C1C(C)C(OC(O1)(C)C)C(C)CC(C(C(C(C2C)OC(=O)NCCCCCNC(/NC(=O)NC)=N)C)OCC#C)(O)C)CC)=O | | InChi: | InChI=1S/C36H63N5O10/c1-12-19-47-28-23(5)27(49-33(44)40-18-16-14-15-17-39-31(37)41-32(43)38-11)24(6)30(42)48-25(13-2)36(10,46)29-22(4)26(50-34(7,8)51-29)21(3)20-35(28,9)45/h1,21-29,45-46H,13-20H2,2-11H3,(H,40,44)(H4,37,38,39,41,43)/t21-,22+,23+,24-,25-,26+,27+,28-,29-,35-,36-/m1/s1 | | Definition date: | 2015-04-16 | | Last modified: | 2015-06-26 | | Release date: | 2015-07-01 | | Identifier: | (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {5-[N'-(methylcarbamoyl)carbamimidamido]pentyl}carbamate (non-preferred name) |
|
 | | M6V | | Name: | (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {4-[N'-(methylcarbamoyl)carbamimidamido]butyl}carbamate | | Formula: | C35 H61 N5 O10 | | SMILES: | N(CCCCNC(=N)/NC(NC)=O)C(OC2C(C)C(OC(C(C)(O)C1C(C)C(OC(O1)(C)C)C(C)CC(C(C2C)OCC#C)(O)C)CC)=O)=O | | InChi: | InChI=1S/C35H61N5O10/c1-12-18-46-27-22(5)26(48-32(43)39-17-15-14-16-38-30(36)40-31(42)37-11)23(6)29(41)47-24(13-2)35(10,45)28-21(4)25(49-33(7,8)50-28)20(3)19-34(27,9)44/h1,20-28,44-45H,13-19H2,2-11H3,(H,39,43)(H4,36,37,38,40,42)/t20-,21+,22+,23-,24-,25+,26+,27-,28-,34-,35-/m1/s1 | | Definition date: | 2015-04-16 | | Last modified: | 2015-06-26 | | Release date: | 2015-07-01 | | Identifier: | (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {4-[N'-(methylcarbamoyl)carbamimidamido]butyl}carbamate (non-preferred name) |
|
 | | 775 | | Name: | 2-[(4-chlorobenzyl)amino]-7-oxo-5-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile | | Formula: | C17 H16 Cl N5 O | | SMILES: | CCCC=1Nc2n(C(C=1)=O)nc(c2C#N)NCc3ccc(Cl)cc3 | | InChi: | InChI=1S/C17H16ClN5O/c1-2-3-13-8-15(24)23-17(21-13)14(9-19)16(22-23)20-10-11-4-6-12(18)7-5-11/h4-8,21H,2-3,10H2,1H3,(H,20,22) | | Definition date: | 2015-06-08 | | Last modified: | 2015-06-26 | | Release date: | 2015-07-01 | | Identifier: | 2-[(4-chlorobenzyl)amino]-7-oxo-5-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile |
|
 | | 3TV | | Name: | 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide | | Formula: | C9 H9 F4 N O2 S2 | | SMILES: | O=S(=O)(c1c(F)c(F)c(SCCC)c(F)c1F)N | | InChi: | InChI=1S/C9H9F4NO2S2/c1-2-3-17-8-4(10)6(12)9(18(14,15)16)7(13)5(8)11/h2-3H2,1H3,(H2,14,15,16) | | Definition date: | 2014-10-24 | | Last modified: | 2015-06-26 | | Release date: | 2015-07-01 | | Identifier: | 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide |
|
 | | 3UF | | Name: | 4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide | | Formula: | C8 H11 N O3 S2 | | SMILES: | O=S(=O)(c1ccc(SCCO)cc1)N | | InChi: | InChI=1S/C8H11NO3S2/c9-14(11,12)8-3-1-7(2-4-8)13-6-5-10/h1-4,10H,5-6H2,(H2,9,11,12) | | Definition date: | 2014-11-03 | | Last modified: | 2015-06-26 | | Release date: | 2015-07-01 | | Identifier: | 4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide |
|
 | | 3UG | | Name: | 2,3,5,6-tetrafluoro-4-(piperidin-1-yl)benzenesulfonamide | | Formula: | C11 H12 F4 N2 O2 S | | SMILES: | O=S(=O)(N)c1c(F)c(F)c(c(F)c1F)N2CCCCC2 | | InChi: | InChI=1S/C11H12F4N2O2S/c12-6-8(14)11(20(16,18)19)9(15)7(13)10(6)17-4-2-1-3-5-17/h1-5H2,(H2,16,18,19) | | Definition date: | 2014-11-03 | | Last modified: | 2015-06-26 | | Release date: | 2015-07-01 | | Identifier: | 2,3,5,6-tetrafluoro-4-(piperidin-1-yl)benzenesulfonamide |
|
 | | 3UQ | | Name: | [(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,4a,8a-eta)-naphthalene]ruthenium(1+) | | Formula: | C15 H13 Ru | | SMILES: | [Ru+]%11674389%10%116c%12c8c9c%10c%11%13c6%12cccc%13 | | InChi: | InChI=1S/C10H8.C5H5.Ru/c1-2-6-10-8-4-3-7-9(10)5-1 | | Definition date: | 2014-11-05 | | Last modified: | 2015-06-26 | | Release date: | 2015-07-01 | | Identifier: | [(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,4a,8a-eta)-naphthalene]ruthenium(1+) |
|
 | | C6T | | Name: | 2'-deoxy-5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]amino}phosphoryl]-3,4-dihydrothymidine | | Formula: | C11 H20 N3 O12 P3 | | SMILES: | O=P(O)(O)CP(=O)(O)NP(=O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O | | InChi: | InChI=1S/C11H20N3O12P3/c1-6-3-14(11(17)12-10(6)16)9-2-7(15)8(26-9)4-25-29(23,24)13-27(18,19)5-28(20,21)22/h3,7-9,15H,2,4-5H2,1H3,(H,12,16,17)(H2,20,21,22)(H3,13,18,19,23,24)/t7-,8+,9+/m0/s1 | | Definition date: | 2014-11-13 | | Last modified: | 2015-06-26 | | Release date: | 2015-07-01 | | Identifier: | 2'-deoxy-5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]amino}phosphoryl]-3,4-dihydrothymidine |
|
 | | 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 |
|
