 | | A1ADV | | Name: | (S~1~S,3R)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride | | Formula: | C23 H28 Cl F N4 O3 S | | SMILES: | O=C(N1CC(OCC1)c1ccccc1)c1ccc(N=S(F)(=O)N2CCC(C2)N(C)C)cc1Cl | | InChi: | InChI=1S/C23H28ClFN4O3S/c1-27(2)19-10-11-29(15-19)33(25,31)26-18-8-9-20(21(24)14-18)23(30)28-12-13-32-22(16-28)17-6-4-3-5-7-17/h3-9,14,19,22H,10-13,15-16H2,1-2H3/t19-,22-,33-/m1/s1 | | Definition date: | 2024-01-29 | | Last modified: | 2024-05-31 | | Release date: | 2024-06-05 | | Identifier: | (S~1~S,3R)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride |
|
 | | ZTO | | Name: | N-(3-{[(3R)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}phenyl)-4-methoxybenzamide | | Formula: | C23 H19 F N2 O3 | | SMILES: | COc1ccc(cc1)C(=O)Nc1cccc(c1)CC1c2cc(F)ccc2NC1=O | | InChi: | InChI=1S/C23H19FN2O3/c1-29-18-8-5-15(6-9-18)22(27)25-17-4-2-3-14(11-17)12-20-19-13-16(24)7-10-21(19)26-23(20)28/h2-11,13,20H,12H2,1H3,(H,25,27)(H,26,28)/t20-/m1/s1 | | Definition date: | 2023-03-31 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | N-(3-{[(3R)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}phenyl)-4-methoxybenzamide |
|
 | | S3X | | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-(2-{[(1S)-1-(4-nitrophenyl)ethyl]amino}-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C29 H26 Cl N5 O4 | | SMILES: | [O-][N+](=O)c1ccc(cc1)C(C)NC(=O)CN1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C29H26ClN5O4/c1-18(19-7-10-23(11-8-19)35(38)39)32-28(36)17-34-15-21-6-9-22(30)12-25(21)26(16-34)29(37)33-27-14-31-13-20-4-2-3-5-24(20)27/h2-14,18,26H,15-17H2,1H3,(H,32,36)(H,33,37)/t18-,26+/m0/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2024-01-23 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-(2-{[(1S)-1-(4-nitrophenyl)ethyl]amino}-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
|
 | | SRM | | Name: | SIROHEME | | Formula: | C42 H44 Fe N4 O16 | | SMILES: | O=C(O)CCC=6C7=Cc1c(c(c2n1[Fe]84N5C(=CC3=C(CCC(=O)O)C(C(=C2)N34)(C)CC(=O)O)C(C(=C5C=C(C=6CC(=O)O)N78)CCC(=O)O)(C)CC(=O)O)CC(=O)O)CCC(=O)O | | InChi: | InChI=1S/C42H46N4O16.Fe/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-29 | | Identifier: | {3,3',3'',3'''-[(8S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-8,13,22,24-tetrahydroporphyrin-2,7,12,18-tetrayl-kappa~4~N~21~,N~22~,N~23~,N~24~]tetrapropanoato(4-)}iron |
|
 | | NSR | | Name: | (4R)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | Formula: | C19 H15 Cl N2 O2 | | SMILES: | Clc1ccc2OCCC(c2c1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C19H15ClN2O2/c20-13-5-6-18-16(9-13)15(7-8-24-18)19(23)22-17-11-21-10-12-3-1-2-4-14(12)17/h1-6,9-11,15H,7-8H2,(H,22,23)/t15-/m1/s1 | | Definition date: | 2023-08-16 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4R)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
|
 | | Z4I | | Name: | 2-(benzylamino)-N'-(difluoroacetyl)pyrimidine-5-carbohydrazide | | Formula: | C14 H13 F2 N5 O2 | | SMILES: | FC(F)C(=O)NNC(=O)c1cnc(NCc2ccccc2)nc1 | | InChi: | InChI=1S/C14H13F2N5O2/c15-11(16)13(23)21-20-12(22)10-7-18-14(19-8-10)17-6-9-4-2-1-3-5-9/h1-5,7-8,11H,6H2,(H,20,22)(H,21,23)(H,17,18,19) | | Definition date: | 2023-03-06 | | Last modified: | 2023-09-29 | | Release date: | 2023-10-04 | | Identifier: | 2-(benzylamino)-N'-(difluoroacetyl)pyrimidine-5-carbohydrazide |
|
 | | MW6 | | Name: | (3S)-3-[(3-aminophenyl)sulfanylmethyl]piperidine-2,6-dione | | Formula: | C12 H14 N2 O2 S | | SMILES: | Nc1cccc(SC[CH]2CCC(=O)NC2=O)c1 | | InChi: | InChI=1S/C12H14N2O2S/c13-9-2-1-3-10(6-9)17-7-8-4-5-11(15)14-12(8)16/h1-3,6,8H,4-5,7,13H2,(H,14,15,16)/t8-/m1/s1 | | Definition date: | 2022-08-04 | | Last modified: | 2023-09-23 | | Release date: | 2023-01-11 | | Identifier: | (3~{S})-3-[(3-aminophenyl)sulfanylmethyl]piperidine-2,6-dione |
|
 | | MU9 | | Name: | 2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]-4,4-bis(fluoranyl)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide | | Formula: | C21 H27 Cl2 F2 N3 O2 | | SMILES: | FC1(F)CCC(CC1)(Nc2ccc(Cl)cc2)C(=O)N3CCC(CC3)CNC(=O)CCl | | InChi: | InChI=1S/C21H27Cl2F2N3O2/c22-13-18(29)26-14-15-5-11-28(12-6-15)19(30)20(7-9-21(24,25)10-8-20)27-17-3-1-16(23)2-4-17/h1-4,15,27H,5-14H2,(H,26,29) | | Definition date: | 2022-08-04 | | Last modified: | 2023-09-15 | | Release date: | 2023-09-20 | | Identifier: | 2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]-4,4-bis(fluoranyl)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide |
|
 | | US9 | | Name: | (3R)-1-(ethanesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide | | Formula: | C15 H19 F3 N2 O4 S | | SMILES: | O=S(=O)(CC)N1CCCC(C1)C(=O)Nc1ccc(OC(F)(F)F)cc1 | | InChi: | InChI=1S/C15H19F3N2O4S/c1-2-25(22,23)20-9-3-4-11(10-20)14(21)19-12-5-7-13(8-6-12)24-15(16,17)18/h5-8,11H,2-4,9-10H2,1H3,(H,19,21)/t11-/m1/s1 | | Definition date: | 2022-08-24 | | Last modified: | 2023-05-05 | | Release date: | 2023-05-10 | | Identifier: | (3R)-1-(ethanesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide |
|
 | | XBC | | Name: | Cruentaren A | | Formula: | C33 H51 N O8 | | SMILES: | CCCC(O)C(C)C(=O)NCC=C/CC(C)C(O)C(C)C1CC=CCC(C)C(O)Cc2cc(OC)cc(O)c2C(=O)O1 | | InChi: | InChI=1S/C33H51NO8/c1-7-12-26(35)22(4)32(39)34-16-11-10-14-21(3)31(38)23(5)29-15-9-8-13-20(2)27(36)18-24-17-25(41-6)19-28(37)30(24)33(40)42-29/h8-11,17,19-23,26-27,29,31,35-38H,7,12-16,18H2,1-6H3,(H,34,39)/b9-8-,11-10-/t20-,21+,22+,23+,26-,27+,29-,31+/m0/s1 | | Synonyms: | (2R,3S)-N-{(2Z,5R,6R,7S)-7-[(3S,5Z,8S,9R)-9,14-dihydroxy-12-methoxy-8-methyl-1-oxo-3,4,7,8,9,10-hexahydro-1H-2-benzoxacyclododecin-3-yl]-6-hydroxy-5-methyloct-2-en-1-yl}-3-hydroxy-2-methylhexanamide | | Definition date: | 2022-11-09 | | Last modified: | 2023-03-31 | | Release date: | 2023-04-05 | | Identifier: | (2R,3S)-N-{(2Z,5R,6R,7S)-7-[(3S,5Z,8S,9R)-9,14-dihydroxy-12-methoxy-8-methyl-1-oxo-3,4,7,8,9,10-hexahydro-1H-2-benzoxacyclododecin-3-yl]-6-hydroxy-5-methyloct-2-en-1-yl}-3-hydroxy-2-methylhexanamide |
|
 | | GRJ | | Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{S},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[(1~{S})-1-oxidanylethyl]oxolan-2-yl] hydrogen phosphate | | Formula: | C16 H25 N5 O15 P2 | | SMILES: | C[CH](O)[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(O)nc(N)nc34)[CH](O)[CH]1O | | InChi: | InChI=1S/C16H25N5O15P2/c1-4(22)11-8(24)10(26)15(34-11)35-38(30,31)36-37(28,29)32-2-5-7(23)9(25)14(33-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5+,7+,8-,9+,10-,11+,14+,15-/m0/s1 | | Definition date: | 2022-05-17 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{S},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[(1~{S})-1-oxidanylethyl]oxolan-2-yl] hydrogen phosphate |
|
 | | L2U | | Name: | (2~{R})-2-[[4-[(4-aminocarbonylphenyl)carbonylamino]phenyl]sulfonylamino]-5-[(2~{S},4~{S})-4-azanyl-2-[[(2~{S})-1-[[(2~{S})-1-[(5-azanyl-5-oxidanylidene-pentyl)amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxidanylidene-pentanoic acid | | Formula: | C41 H57 N9 O13 S | | SMILES: | CC(C)C[CH](NC(=O)[CH]1C[CH](N)CN1C(=O)CC[CH](N[S](=O)(=O)c2ccc(NC(=O)c3ccc(cc3)C(N)=O)cc2)C(O)=O)C(=O)N(C)[CH](CCC(O)=O)C(=O)NCCCCC(N)=O | | InChi: | InChI=1S/C41H57N9O13S/c1-23(2)20-30(40(59)49(3)31(16-18-35(53)54)38(57)45-19-5-4-6-33(43)51)47-39(58)32-21-26(42)22-50(32)34(52)17-15-29(41(60)61)48-64(62,63)28-13-11-27(12-14-28)46-37(56)25-9-7-24(8-10-25)36(44)55/h7-14,23,26,29-32,48H,4-6,15-22,42H2,1-3H3,(H2,43,51)(H2,44,55)(H,45,57)(H,46,56)(H,47,58)(H,53,54)(H,60,61)/t26-,29+,30-,31-,32-/m0/s1 | | Definition date: | 2022-11-08 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | (2~{R})-2-[[4-[(4-aminocarbonylphenyl)carbonylamino]phenyl]sulfonylamino]-5-[(2~{S},4~{S})-4-azanyl-2-[[(2~{S})-1-[[(2~{S})-1-[(5-azanyl-5-oxidanylidene-pentyl)amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxidanylidene-pentanoic acid |
|
 | | R1O | | Name: | N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-D-lysine | | Formula: | C14 H24 N3 O7 P | | SMILES: | Oc1c(CNC(CCCCN)C(=O)O)c(cnc1C)COP(=O)(O)O | | InChi: | InChI=1S/C14H24N3O7P/c1-9-13(18)11(10(6-16-9)8-24-25(21,22)23)7-17-12(14(19)20)4-2-3-5-15/h6,12,17-18H,2-5,7-8,15H2,1H3,(H,19,20)(H2,21,22,23)/t12-/m1/s1 | | Definition date: | 2022-06-15 | | Last modified: | 2022-11-11 | | Release date: | 2022-11-16 | | Identifier: | N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-D-lysine |
|
 | | 85O | | Name: | 12-methoxy-Nb-methylvoachalotine | | Formula: | C24 H31 N2 O4 | | SMILES: | O=C(OC)C1(CO)C2Cc3c(C4CC1C(=CC)/C[N+]24C)n(C)c1c(OC)cccc31 | | InChi: | InChI=1S/C24H31N2O4/c1-6-14-12-26(3)18-11-17(14)24(13-27,23(28)30-5)20(26)10-16-15-8-7-9-19(29-4)22(15)25(2)21(16)18/h6-9,17-18,20,27H,10-13H2,1-5H3/q+1/b14-6-/t17-,18-,20-,24+,26-/m0/s1 | | Definition date: | 2021-09-06 | | Last modified: | 2022-11-04 | | Release date: | 2022-11-09 | | Identifier: | (4R,19E)-16-(hydroxymethyl)-12,17-dimethoxy-1,4-dimethyl-17-oxosarpagan-4-ium |
|
 | | TEK | | Name: | ~{N}-(1-ethylbenzimidazol-2-yl)ethanamide | | Formula: | C11 H13 N3 O | | SMILES: | CCn1c(NC(C)=O)nc2ccccc12 | | InChi: | InChI=1S/C11H13N3O/c1-3-14-10-7-5-4-6-9(10)13-11(14)12-8(2)15/h4-7H,3H2,1-2H3,(H,12,13,15) | | Definition date: | 2020-12-21 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | ~{N}-(1-ethylbenzimidazol-2-yl)ethanamide |
|
 | | RTW | | Name: | 2-azanyl-9-cyclohexyl-8-(2-methoxyphenyl)-3~{H}-purine-6-thione | | Formula: | C18 H21 N5 O S | | SMILES: | COc1ccccc1c2nc3C(=S)N=C(N)Nc3n2C4CCCCC4 | | InChi: | InChI=1S/C18H21N5OS/c1-24-13-10-6-5-9-12(13)15-20-14-16(21-18(19)22-17(14)25)23(15)11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3,(H3,19,21,22,25) | | Synonyms: | TH8321 | | Definition date: | 2020-10-20 | | Last modified: | 2021-05-28 | | Release date: | 2021-06-02 | | Identifier: | 2-azanyl-9-cyclohexyl-8-(2-methoxyphenyl)-3~{H}-purine-6-thione |
|
 | | TAP | | Name: | 7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Formula: | C21 H28 N7 O16 P3 S | | SMILES: | NC(=S)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O | | InChi: | InChI=1S/C21H28N7O16P3S/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(43-45(32,33)34)14(30)11(42-21)6-40-47(37,38)44-46(35,36)39-5-10-13(29)15(31)20(41-10)27-3-1-2-9(4-27)18(23)48/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,48)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 | | Synonyms: | TATP | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(3-carbamothioylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphate |
|
 | | EN9 | | Name: | (2R)-2-[(4-chlorophenyl)sulfonyl-[[2-fluoranyl-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-tris(fluoranyl)pentanamide | | Formula: | C20 H17 Cl F4 N4 O4 S | | SMILES: | NC(=O)[CH](CCC(F)(F)F)N(Cc1ccc(cc1F)c2nocn2)[S](=O)(=O)c3ccc(Cl)cc3 | | InChi: | InChI=1S/C20H17ClF4N4O4S/c21-14-3-5-15(6-4-14)34(31,32)29(17(18(26)30)7-8-20(23,24)25)10-13-2-1-12(9-16(13)22)19-27-11-33-28-19/h1-6,9,11,17H,7-8,10H2,(H2,26,30)/t17-/m1/s1 | | Definition date: | 2020-01-16 | | Last modified: | 2021-01-22 | | Release date: | 2021-01-27 | | Identifier: | (2~{R})-2-[(4-chlorophenyl)sulfonyl-[[2-fluoranyl-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-tris(fluoranyl)pentanamide |
|
 | | WRY | | Name: | 7-fluoro-N,2-dimethylquinoline-3-carboxamide | | Formula: | C12 H11 F N2 O | | SMILES: | N(C)C(=O)c2cc1ccc(F)cc1nc2C | | InChi: | InChI=1S/C12H11FN2O/c1-7-10(12(16)14-2)5-8-3-4-9(13)6-11(8)15-7/h3-6H,1-2H3,(H,14,16) | | Definition date: | 2020-11-04 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 7-fluoro-N,2-dimethylquinoline-3-carboxamide |
|
 | | MGH | | Name: | methyl N-(carboxymethyl)-N-(3-phenylpropanoyl)glycyl-D-histidinate | | Formula: | C20 H24 N4 O6 | | SMILES: | O=C(O)CN(C(=O)CCc1ccccc1)CC(=O)NC(C(=O)OC)Cc2ncnc2 | | InChi: | InChI=1S/C20H24N4O6/c1-30-20(29)16(9-15-10-21-13-22-15)23-17(25)11-24(12-19(27)28)18(26)8-7-14-5-3-2-4-6-14/h2-6,10,13,16H,7-9,11-12H2,1H3,(H,21,22)(H,23,25)(H,27,28)/t16-/m1/s1 | | Synonyms: | (S)-2-{2-[Carboxymethyl-(3-phenyl-propionyl)-amino]-acetylamino}-3-(3H-imidazol-4-yl)-propionic acid methyl ester | | Definition date: | 2011-03-24 | | Last modified: | 2020-06-17 | | Release date: | 2013-08-28 | | Identifier: | methyl N-(carboxymethyl)-N-(3-phenylpropanoyl)glycyl-D-histidinate |
|
 | | 3AA | | Name: | 3-AMINOPYRIDINE-ADENINE DINUCLEOTIDE PHOSPHATE | | Formula: | C20 H29 N7 O16 P3 | | SMILES: | Nc1ccc[n+](c1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O | | InChi: | InChI=1S/C20H28N7O16P3/c21-9-2-1-3-26(4-9)19-15(30)13(28)10(40-19)5-38-45(34,35)43-46(36,37)39-6-11-14(29)16(42-44(31,32)33)20(41-11)27-8-25-12-17(22)23-7-24-18(12)27/h1-4,7-8,10-11,13-16,19-20,28-30H,5-6,21H2,(H5-,22,23,24,31,32,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1 | | Synonyms: | ADENOSINE 5'-(TRIHYDROGEN DIPHOSPHATE) 2'-(DIHYDROGEN PHOSPHATE)ESTER WITH 3-(AMINO)-1-BETA-D-RIBOFURANOSYLPYRIDINIUM
INNER SALT | | Definition date: | 2000-06-27 | | Last modified: | 2020-06-17 | | Identifier: | [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(3-aminopyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate |
|
 | | NAP | | Name: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Formula: | C21 H28 N7 O17 P3 | | SMILES: | NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O | | InChi: | InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 | | Synonyms: | 2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | [(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate |
|
 | | PE1 | | Name: | N~2~-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-L-LYSINE | | Formula: | C14 H24 N3 O7 P | | SMILES: | O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CCCCN | | InChi: | InChI=1S/C14H24N3O7P/c1-9-13(18)11(10(6-16-9)8-24-25(21,22)23)7-17-12(14(19)20)4-2-3-5-15/h6,12,17-18H,2-5,7-8,15H2,1H3,(H,19,20)(H2,21,22,23)/t12-/m0/s1 | | Synonyms: | PYRIDOXYL-GLUTAMIC ACID-5'-MONOPHOSPHATE | | Definition date: | 2004-11-12 | | Last modified: | 2020-06-17 | | Identifier: | N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-lysine |
|
 | | BVZ | | Name: | [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]-tris(oxidanyl)boranuide | | Formula: | C21 H25 B N3 O5 S | | SMILES: | O[B-](O)(O)c1ccccc1CN2CCCN(CC2)[S](=O)(=O)c3cccc4cnccc34 | | InChi: | InChI=1S/C21H25BN3O5S/c26-22(27,28)20-7-2-1-5-18(20)16-24-11-4-12-25(14-13-24)31(29,30)21-8-3-6-17-15-23-10-9-19(17)21/h1-3,5-10,15,26-28H,4,11-14,16H2/q-1 | | Definition date: | 2017-10-19 | | Last modified: | 2019-10-18 | | Release date: | 2018-10-31 | | Identifier: | [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]-tris(oxidanyl)boranuide |
|
 | | KYZ | | Name: | ~{N}-[2-methoxy-5-(methylsulfamoyl)phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide | | Formula: | C18 H18 N4 O5 S | | SMILES: | CN[S](=O)(=O)c1ccc(OC)c(NC(=O)CC2=NNC(=O)c3ccccc23)c1 | | InChi: | InChI=1S/C18H18N4O5S/c1-19-28(25,26)11-7-8-16(27-2)15(9-11)20-17(23)10-14-12-5-3-4-6-13(12)18(24)22-21-14/h3-9,19H,10H2,1-2H3,(H,20,23)(H,22,24) | | Definition date: | 2019-07-05 | | Last modified: | 2019-09-20 | | Release date: | 2019-09-25 | | Identifier: | ~{N}-[2-methoxy-5-(methylsulfamoyl)phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide |
|
