 | | H8D | | Name: | (8beta)-N-[(2S)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide | | Formula: | C20 H25 N3 O2 | | SMILES: | c3ccc2C=1C(N(C)CC(C(NC(CO)CC)=O)C=1)Cc4c2c3nc4 | | InChi: | InChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)/t13-,14+,18-/m1/s1 | | Synonyms: | methylergonovine | | Definition date: | 2018-06-15 | | Last modified: | 2020-06-17 | | Release date: | 2018-08-29 | | Identifier: | (8beta)-N-[(2S)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide |
|
 | | I03 | | Name: | (2S)-2-AMINO-2-BENZYL-3-HYDROXYPROPYL
3-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-5-[METHYL(METHYLSULFONYL)AMINO]BENZOATE | | Formula: | C28 H32 F N3 O6 S | | SMILES: | O=S(=O)(N(c1cc(cc(c1)C(=O)OCC(N)(Cc2ccccc2)CO)C(=O)NC(c3ccc(F)cc3)C)C)C | | InChi: | InChI=1S/C28H32FN3O6S/c1-19(21-9-11-24(29)12-10-21)31-26(34)22-13-23(15-25(14-22)32(2)39(3,36)37)27(35)38-18-28(30,17-33)16-20-7-5-4-6-8-20/h4-15,19,33H,16-18,30H2,1-3H3,(H,31,34)/t19-,28+/m1/s1 | | Synonyms: | N-[1-BENZYL-2-HYDROXY-1-(HYDROXYMETHYL)ETHYL]-N'-{[(1R)-1-(4-FLUOROPHENYL)ETHYL]-5-[N-METHYL-N-(METHYLSULFONYL)AMINO]}I
SOPHTHALIMIDE | | Definition date: | 2006-10-25 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-2-amino-2-benzyl-3-hydroxypropyl 3-{[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl}-5-[methyl(methylsulfonyl)amino]benzoate |
|
 | | H97 | | Name: | (1R,3R,7E,17beta)-17-[(1R)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,1
0-secoestra-5,7-diene-1,3-diol | | Formula: | C31 H44 F6 O4 | | SMILES: | FC(F)(F)C(O)(C#CCC(CCCC(O)(C)C)C2CCC3C(=CC=C1CC(O)CC(O)C1)CCCC23C)C(F)(F)F | | InChi: | InChI=1S/C31H44F6O4/c1-27(2,40)14-4-7-21(9-6-16-29(41,30(32,33)34)31(35,36)37)25-12-13-26-22(8-5-15-28(25,26)3)11-10-20-17-23(38)19-24(39)18-20/h10-11,21,23-26,38-41H,4-5,7-9,12-15,17-19H2,1-3H3/b22-11+/t21-,23-,24-,25-,26+,28-/m1/s1 | | Synonyms: | 1,25-dihydroxy-20R-21(3-trideuteromethyl-3-hydroxy-4,4,4-trideuterobutyl)-23-yne-26,27-hexafluoro-19-nor-cholecalcifero
l (Gemini--0097) | | Definition date: | 2010-07-22 | | Last modified: | 2020-06-17 | | Identifier: | (1R,3R,7E,17beta)-17-[(6R)-1,1,1-trifluoro-2,10-dihydroxy-10-methyl-2-(trifluoromethyl)undec-3-yn-6-yl]-9,10-secoestra-5,7-diene-1,3-diol |
|
 | | HAG | | Name: | 4-S-GLUTATHIONYL-5-PENTYL-TETRAHYDRO-FURAN-2-OL | | Formula: | C19 H33 N3 O8 S | | SMILES: | O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC1C(OC(O)C1)CCCCC | | InChi: | InChI=1S/C19H33N3O8S/c1-2-3-4-5-13-14(8-17(26)30-13)31-10-12(18(27)21-9-16(24)25)22-15(23)7-6-11(20)19(28)29/h11-14,17,26H,2-10,20H2,1H3,(H,21,27)(H,22,23)(H,24,25)(H,28,29)/t11-,12-,13+,14-,17+/m0/s1 | | Synonyms: | GSHNA | | Definition date: | 1999-07-27 | | Last modified: | 2020-06-17 | | Identifier: | L-gamma-glutamyl-S-[(2R,3S,5R)-5-hydroxy-2-pentyltetrahydrofuran-3-yl]-L-cysteinylglycine |
|
 | | I1P | | Name: | 2-[4-(N-(3-DIMETHYLAMINOPROPYL)SULPHAMOYL)ANILINO]- | | Formula: | C21 H24 N8 O2 S | | SMILES: | O=S(=O)(NCCCN(C)C)c1ccc(cc1)Nc2nccc(n2)c3cnc4cccnn34 | | InChi: | InChI=1S/C21H24N8O2S/c1-28(2)14-4-12-25-32(30,31)17-8-6-16(7-9-17)26-21-22-13-10-18(27-21)19-15-23-20-5-3-11-24-29(19)20/h3,5-11,13,15,25H,4,12,14H2,1-2H3,(H,22,26,27) | | Synonyms: | N-[3-(DIMETHYLAMINO)PROPYL]-4-[(4-IMIDAZO[1,2-B]PYRIDAZIN-3-YL-2-PYRIMIDINYL)AMINO]BENZENESULFONAMIDE | | Definition date: | 2003-11-11 | | Last modified: | 2020-06-17 | | Identifier: | N-[3-(dimethylamino)propyl]-4-[(4-imidazo[1,2-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide |
|
 | | HBC | | Name: | (2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-2-YL)-PHENYL-METHANONE | | Formula: | C20 H21 N O | | SMILES: | O=C(c1ccccc1)C4(N)C2CCC(C2)C4c3ccccc3 | | InChi: | InChI=1S/C20H21NO/c21-20(19(22)15-9-5-2-6-10-15)17-12-11-16(13-17)18(20)14-7-3-1-4-8-14/h1-10,16-18H,11-13,21H2/t16-,17+,18+,20+/m0/s1 | | Synonyms: | BICYCLO[2.2.1]HEPTANE | | Definition date: | 2001-08-06 | | Last modified: | 2020-06-17 | | Identifier: | [(1R,2R,3S,4S)-2-amino-3-phenylbicyclo[2.2.1]hept-2-yl](phenyl)methanone |
|
 | | HBM | | Name: | 2-(2,4-DICHLORO-PHENYL)-7-HYDROXY-1H-BENZOIMIDAZOLE-4-CARBOXYLIC ACID [2-(4-METHANESULFONYLAMINO-PHENYL)-ETHYL]-AMIDE | | Formula: | C23 H20 Cl2 N4 O4 S | | SMILES: | O=S(=O)(Nc1ccc(cc1)CCNC(=O)c2ccc(O)c3nc(nc23)c4ccc(Cl)cc4Cl)C | | InChi: | InChI=1S/C23H20Cl2N4O4S/c1-34(32,33)29-15-5-2-13(3-6-15)10-11-26-23(31)17-8-9-19(30)21-20(17)27-22(28-21)16-7-4-14(24)12-18(16)25/h2-9,12,29-30H,10-11H2,1H3,(H,26,31)(H,27,28) | | Synonyms: | 2-(2,4-DICHLOROPHENYL)-4-HYDROXY-N-(2-{4-[(METHYLSULFONYL)AMINO]PHENYL}ETHYL)-1H-BENZIMIDAZOLE-7-CARBOXAMIDE | | Definition date: | 2006-12-14 | | Last modified: | 2020-06-17 | | Identifier: | 2-(2,4-dichlorophenyl)-4-hydroxy-N-(2-{4-[(methylsulfonyl)amino]phenyl}ethyl)-1H-benzimidazole-7-carboxamide |
|
 | | I32 | | Name: | 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3-iodo-1H-indole-2-carbonitrile | | Formula: | C16 H20 I N3 O2 | | SMILES: | Ic2c1c(cccc1OCC(O)CNC(C)(C)C)nc2C#N | | InChi: | InChI=1S/C16H20IN3O2/c1-16(2,3)19-8-10(21)9-22-13-6-4-5-11-14(13)15(17)12(7-18)20-11/h4-6,10,19-21H,8-9H2,1-3H3/t10-/m0/s1 | | Synonyms: | IODOCYANOPINDOLOL | | Definition date: | 2011-03-17 | | Last modified: | 2020-06-17 | | Identifier: | 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3-iodo-1H-indole-2-carbonitrile |
|
 | | HC2 | | Name: | 20-HYDROXYCHOLESTEROL | | Formula: | C27 H46 O2 | | SMILES: | OC(C4C3(C(C1C(C2(C(=CC1)CC(O)CC2)C)CC3)CC4)C)(C)CCCC(C)C | | InChi: | InChI=1S/C27H46O2/c1-18(2)7-6-14-27(5,29)24-11-10-22-21-9-8-19-17-20(28)12-15-25(19,3)23(21)13-16-26(22,24)4/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t20-,21-,22-,23-,24-,25-,26-,27+/m0/s1 | | Synonyms: | (3BETA,20R)-CHOLEST-5-ENE-3,20-DIOL | | Definition date: | 2005-05-09 | | Last modified: | 2020-06-17 | | Identifier: | (3beta,14beta,17alpha,20R)-cholest-5-ene-3,20-diol |
|
 | | HC3 | | Name: | 25-HYDROXYCHOLESTEROL | | Formula: | C27 H46 O2 | | SMILES: | OC(C)(C)CCCC(C4C3(C(C1C(C2(C(=CC1)CC(O)CC2)C)CC3)CC4)C)C | | InChi: | InChI=1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1 | | Synonyms: | (3BETA)-CHOLEST-5-ENE-3,25-DIOL | | Definition date: | 2005-05-10 | | Last modified: | 2020-06-17 | | Identifier: | (3beta,14beta,17alpha)-cholest-5-ene-3,25-diol |
|
 | | HC7 | | Name: | (2S)-2-[4'-({dimethyl[2-(phosphonooxy)ethyl]ammonio}acetyl)biphenyl-4-yl]-2-hydroxy-4,4-dimethylmorpholin-4-ium | | Formula: | C24 H35 N2 O7 P | | SMILES: | O=P(O)(O)OCC[N+](C)(C)CC(=O)c1ccc(cc1)c2ccc(cc2)C3(O)OCC[N+](C)(C)C3 | | InChi: | InChI=1S/C24H33N2O7P/c1-25(2,14-16-33-34(29,30)31)17-23(27)21-7-5-19(6-8-21)20-9-11-22(12-10-20)24(28)18-26(3,4)13-15-32-24/h5-12,28H,13-18H2,1-4H3/p+2/t24-/m1/s1 | | Synonyms: | 2-{4-[4-(2-{dimethyl[2-(phosphonatooxy)ethyl]azaniumyl}acetyl)phenyl]phenyl}-2-hydroxy-4,4-dimethylmorpholin-4-ium | | Definition date: | 2008-12-04 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-2-[4'-({dimethyl[2-(phosphonooxy)ethyl]ammonio}acetyl)biphenyl-4-yl]-2-hydroxy-4,4-dimethylmorpholin-4-ium |
|
 | | HCV | | Name: | N-[(5S)-5-amino-5-carboxypentanoyl]-L-homocysteyl-D-valine | | Formula: | C15 H27 N3 O6 S | | SMILES: | O=C(NC(C(=O)O)C(C)C)C(NC(=O)CCCC(C(=O)O)N)CCS | | InChi: | InChI=1S/C15H27N3O6S/c1-8(2)12(15(23)24)18-13(20)10(6-7-25)17-11(19)5-3-4-9(16)14(21)22/h8-10,12,25H,3-7,16H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)(H,23,24)/t9-,10-,12+/m0/s1 | | Synonyms: | Delta-L-alpha-aminoadipoyl-L-homocysteinyl-D-valine | | Definition date: | 2013-01-24 | | Last modified: | 2020-06-17 | | Release date: | 2013-02-01 | | Identifier: | N-[(5S)-5-amino-5-carboxypentanoyl]-L-homocysteyl-D-valine |
|
 | | HDD | | Name: | CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE | | Formula: | C34 H32 Fe N4 O5 | | SMILES: | O=C(O)CCc1c(c2C=C7C(=C(C=C)C6=Cc5c(c(C=C)c4C=C9N3C(=Cc1n2[Fe]3(n45)N67)C8(OC(=O)CC8)C9(O)C)C)C)C | | InChi: | InChI=1S/C34H32N4O5.Fe/c1-7-20-17(3)23-13-24-19(5)22(9-10-31(39)40)28(37-24)16-30-34(12-11-32(41)43-34)33(6,42)29(38-30)15-27-21(8-2)18(4)25(36-27)14-26(20)35-23 | | Synonyms: | HEME | | Definition date: | 2000-08-22 | | Last modified: | 2020-06-17 | | Identifier: | {3-[(2R,5'S)-9',14'-diethenyl-5'-hydroxy-5',10',15',19'-tetramethyl-5-oxo-4,5-dihydro-3H-spiro[furan-2,4'-[21,22,23,24]tetraazapentacyclo[16.2.1.1~3,6~.1~8,11~.1~13,16~]tetracosa[1(20),2,6,8,10,12,14,16,18]nonaen]-20'-yl-kappa~4~N~21'~,N~22'~,N~23'~,N~24'~]propanoato(4-)}iron |
|
 | | I59 | | Name: | HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID | | Formula: | C11 H11 O4 P | | SMILES: | O=P(O)(O)C(O)c2cccc1ccccc12 | | InChi: | InChI=1S/C11H11O4P/c12-11(16(13,14)15)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11-12H,(H2,13,14,15)/t11-/m0/s1 | | Synonyms: | DPI59 | | Definition date: | 2003-06-20 | | Last modified: | 2020-06-17 | | Identifier: | [(S)-hydroxy(naphthalen-1-yl)methyl]phosphonic acid |
|
 | | HE5 | | Name: | ZINC(II)-DEUTEROPORPHYRIN DIMETHYLESTER | | Formula: | C32 H34 N4 O4 Zn | | SMILES: | COC(=O)CCc1c(C)c2C=C3C[CH](C)C4=Cc5cc(C)c6C=C7N8C(=Cc1n2[Zn]8(N34)n56)C(=C7C)CCC(=O)OC | | InChi: | InChI=1S/C32H34N4O4.Zn/c1-17-11-22-14-27-19(3)23(7-9-31(37)39-5)29(35-27)16-30-24(8-10-32(38)40-6)20(4)28(36-30)15-26-18(2)12-21(34-26)13-25(17)33-22 | | Synonyms: | ZND-DME | | Definition date: | 2006-10-10 | | Last modified: | 2020-06-17 |
|
 | | HE7 | | Name: | 4-{[(14beta,17alpha)-3-hydroxyestra-1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid | | Formula: | C22 H28 O5 | | SMILES: | O=C(O)CCC(=O)OC4CCC3C2C(c1ccc(O)cc1CC2)CCC34C | | InChi: | InChI=1S/C22H28O5/c1-22-11-10-16-15-5-3-14(23)12-13(15)2-4-17(16)18(22)6-7-19(22)27-21(26)9-8-20(24)25/h3,5,12,16-19,23H,2,4,6-11H2,1H3,(H,24,25)/t16-,17-,18+,19+,22+/m1/s1 | | Synonyms: | 1,3,5(10)-Estratrien-3-[(17beta)-diol]-17-hemisuccinate | | Definition date: | 2007-09-06 | | Last modified: | 2020-06-17 | | Identifier: | 4-{[(14beta,17alpha)-3-hydroxyestra-1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid |
|
 | | HFD | | Name: | 2-fluoro-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-a
mine | | Formula: | C10 H15 F N5 O13 P3 | | SMILES: | O=P(OCC1OC(C(C1O)O)n3c2c(c(nc(n2)F)N)nc3)(O)OP(OP(O)(O)=O)(O)=O | | InChi: | InChI=1S/C10H15FN5O13P3/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t3-,5-,6+,9-/m1/s1 | | Synonyms: | Fludarabine-TRIPHOSPHATE | | Definition date: | 2018-06-27 | | Last modified: | 2020-06-17 | | Release date: | 2018-10-10 | | Identifier: | 2-fluoro-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-amine |
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 | | HFS | | Name: | 1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINE | | Formula: | C14 H17 N3 O3 S | | SMILES: | O=S(=O)(c2c1ccnc(O)c1ccc2)N3CCCNCC3 | | InChi: | InChI=1S/C14H17N3O3S/c18-14-12-3-1-4-13(11(12)5-7-16-14)21(19,20)17-9-2-6-15-8-10-17/h1,3-5,7,15H,2,6,8-10H2,(H,16,18) | | Synonyms: | HYDROXYFASUDIL | | Definition date: | 2005-10-26 | | Last modified: | 2020-06-17 | | Identifier: | 5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-ol |
|
 | | HFT | | Name: | HYDROXYFLUTAMIDE | | Formula: | C11 H11 F3 N2 O4 | | SMILES: | FC(F)(F)c1cc(ccc1[N+]([O-])=O)NC(=O)C(O)(C)C | | InChi: | InChI=1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17) | | Synonyms: | 2-HYDROXY-2-METHYL-N-(4-NITRO-3-(TRIFLUOROMETHYL)PHENYL)PROPANAMIDE | | Definition date: | 2005-09-06 | | Last modified: | 2020-06-17 | | Identifier: | 2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide |
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 | | HG1 | | Name: | 1-[(4-cyclohexylbutanoyl)(2-hydroxyethyl)amino]-1-deoxy-D-glucitol | | Formula: | C18 H35 N O7 | | SMILES: | O=C(N(CC(O)C(O)C(O)C(O)CO)CCO)CCCC1CCCCC1 | | InChi: | InChI=1S/C18H35NO7/c20-10-9-19(11-14(22)17(25)18(26)15(23)12-21)16(24)8-4-7-13-5-2-1-3-6-13/h13-15,17-18,20-23,25-26H,1-12H2/t14-,15+,17+,18+/m0/s1 | | Synonyms: | C-HEGA-10 | | Definition date: | 2013-10-16 | | Last modified: | 2020-06-17 | | Release date: | 2013-12-11 | | Identifier: | 1-[(4-cyclohexylbutanoyl)(2-hydroxyethyl)amino]-1-deoxy-D-glucitol |
|
 | | I7P | | Name: | (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate | | Formula: | C6 H19 O27 P7 | | SMILES: | O=P(O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(OP(=O)(O)O)O | | InChi: | InChI=1S/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2+,3-,4-,5+,6+ | | Synonyms: | 1D-myo-inositol 5-diphosphate 1,2,3,4,6-pentakisphosphate | | Definition date: | 2011-08-08 | | Last modified: | 2020-06-17 | | Identifier: | (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate |
|
 | | HGD | | Name: | mercury bis(L-gamma-glutamyl-3-sulfido-L-alanylglycine) | | Formula: | C20 H32 Hg N6 O12 S2 | | SMILES: | O=C(NC(C(=O)NCC(=O)O)CS[Hg]SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CCC(C(=O)O)N | | InChi: | InChI=1S/2C10H17N3O6S.Hg/c2*11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16 | | Synonyms: | S-Mercury glutathione | | Definition date: | 2013-10-31 | | Last modified: | 2020-06-17 | | Release date: | 2014-03-19 | | Identifier: | mercury bis(L-gamma-glutamyl-3-sulfido-L-alanylglycine) |
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 | | KPV | | Name: | 5-PHENYL-2-KETO-VALERIC ACID | | Formula: | C11 H12 O3 | | SMILES: | O=C(O)C(=O)CCCc1ccccc1 | | InChi: | InChI=1S/C11H12O3/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,13,14) | | Synonyms: | 2-OXO-5-PHENYLPENTANOIC ACID | | Definition date: | 2007-06-19 | | Last modified: | 2020-06-17 | | Identifier: | 2-oxo-5-phenylpentanoic acid |
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 | | KQ7 | | Name: | N-(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)-6-({2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}amino)py
ridine-3-carboxamide | | Formula: | C30 H37 N7 O3 | | SMILES: | CN1CCC[CH]1CCNc2ccc(cn2)C(=O)Nc3cc(NC(=O)c4ccnc(c4)N5CCOCC5)ccc3C | | InChi: | InChI=1S/C30H37N7O3/c1-21-5-7-24(34-29(38)22-9-11-32-28(18-22)37-14-16-40-17-15-37)19-26(21)35-30(39)23-6-8-27(33-20-23)31-12-10-25-4-3-13-36(25)2/h5-9,11,18-20,25H,3-4,10,12-17H2,1-2H3,(H,31,33)(H,34,38)(H,35,39)/t25-/m0/s1 | | Synonyms: | N-[4-methyl-3-(6-{[2-(1-methylpyrrolidin-2-yl)ethyl]amino}pyridine-3-amido)phenyl]-2-(morpholin-4-yl)pyridine-4-carboxa
mide | | Definition date: | 2009-11-18 | | Last modified: | 2020-06-17 | | Identifier: | N-[4-methyl-3-[[6-[2-[(1R,2S)-1-methylpyrrolidin-2-yl]ethylamino]pyridin-3-yl]carbonylamino]phenyl]-2-morpholin-4-yl-pyridine-4-carboxamide |
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 | | KQD | | Name: | (3S,4S,3'S,4'S)-1,1'-(1,4-phenylenedicarbonyl)bis{N~3~,N~4~-bis[(1S,2R)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxami
de} | | Formula: | C56 H56 N6 O6 | | SMILES: | C(=O)(c1ccc(cc1)C(N6CC(C(=O)NC2CC2c3ccccc3)C(C(=O)NC4CC4c5ccccc5)C6)=O)N9CC(C(=O)NC7CC7c8ccccc8)C(C9)C(=O)NC%10CC%10c%11ccccc%11 | | InChi: | InChI=1S/C56H56N6O6/c63-51(57-47-25-39(47)33-13-5-1-6-14-33)43-29-61(30-44(43)52(64)58-48-26-40(48)34-15-7-2-8-16-34)55(67)37-21-23-38(24-22-37)56(68)62-31-45(53(65)59-49-27-41(49)35-17-9-3-10-18-35)46(32-62)54(66)60-50-28-42(50)36-19-11-4-12-20-36/h1-24,39-50H,25-32H2,(H,57,63)(H,58,64)(H,59,65)(H,60,66)/t39-,40-,41-,42-,43-,44-,45-,46-,47+,48+,49+,50+/m1/s1 | | Synonyms: | Diprovocim | | Definition date: | 2019-01-03 | | Last modified: | 2020-06-17 | | Release date: | 2019-04-17 | | Identifier: | (3S,4S,3'S,4'S)-1,1'-(1,4-phenylenedicarbonyl)bis{N~3~,N~4~-bis[(1S,2R)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxamide} |
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