 | | DK8 | | Name: | 2-[(2~{E},6~{E},10~{Z},14~{E},18~{E},22~{E},26~{E})-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]naphthalene-1,4-dione | | Formula: | C50 H70 O2 | | SMILES: | CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=CC(=O)c2ccccc2C1=O | | InChi: | InChI=1S/C50H70O2/c1-38(2)19-12-20-39(3)21-13-22-40(4)23-14-24-41(5)25-15-26-42(6)27-16-28-43(7)29-17-30-44(8)31-18-32-45(9)35-36-46-37-49(51)47-33-10-11-34-48(47)50(46)52/h10-11,19,21,23,25,27,29,31,33-35,37H,12-18,20,22,24,26,28,30,32,36H2,1-9H3/b39-21+,40-23+,41-25+,42-27+,43-29-,44-31+,45-35+ | | Synonyms: | demethlymenaquinone-8 | | Definition date: | 2021-07-23 | | Last modified: | 2021-12-10 | | Release date: | 2021-12-15 | | Identifier: | 2-[(2~{E},6~{E},10~{Z},14~{E},18~{E},22~{E},26~{E})-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]naphthalene-1,4-dione |
|
 | | 8AH | | Name: | 5'-O-(dihydroxyphosphanyl)-2,8-dimethyladenosine | | Formula: | C12 H18 N5 O7 P | | SMILES: | O=P(O)(O)OCC1OC(n2c(C)nc3c(N)nc(C)nc32)C(O)C1O | | InChi: | InChI=1S/C12H18N5O7P/c1-4-14-10(13)7-11(15-4)17(5(2)16-7)12-9(19)8(18)6(24-12)3-23-25(20,21)22/h6,8-9,12,18-19H,3H2,1-2H3,(H2,13,14,15)(H2,20,21,22)/t6-,8-,9-,12-/m1/s1 | | Definition date: | 2021-02-26 | | Last modified: | 2021-12-10 | | Release date: | 2021-12-15 | | Identifier: | 2,8-dimethyladenosine 5'-(dihydrogen phosphate) |
|
 | | B1I | | Name: | N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6-(morpholin-4-yl)pyrimidin-4-amine | | Formula: | C19 H24 F N5 O | | SMILES: | Fc1cccc(c1)N1CCCC(C1)Nc1cc(ncn1)N1CCOCC1 | | InChi: | InChI=1S/C19H24FN5O/c20-15-3-1-5-17(11-15)25-6-2-4-16(13-25)23-18-12-19(22-14-21-18)24-7-9-26-10-8-24/h1,3,5,11-12,14,16H,2,4,6-10,13H2,(H,21,22,23)/t16-/m1/s1 | | Definition date: | 2021-11-11 | | Last modified: | 2021-12-10 | | Release date: | 2021-12-15 | | Identifier: | N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6-(morpholin-4-yl)pyrimidin-4-amine |
|
 | | HCU | | Name: | [(2R)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)butyl] dihydrogen phosphate | | Formula: | C10 H16 N5 O6 P | | SMILES: | NC1=NC(=O)c2ncn(CC[CH](CO)CO[P](O)(O)=O)c2N1 | | InChi: | InChI=1S/C10H16N5O6P/c11-10-13-8-7(9(17)14-10)12-5-15(8)2-1-6(3-16)4-21-22(18,19)20/h5-6,16H,1-4H2,(H2,18,19,20)(H3,11,13,14,17)/t6-/m1/s1 | | Synonyms: | Penciclovir phosphate | | Definition date: | 2020-12-17 | | Last modified: | 2021-12-10 | | Release date: | 2021-12-15 | | Identifier: | [(2~{R})-4-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-2-(hydroxymethyl)butyl] dihydrogen phosphate |
|
 | | H9O | | Name: | 2-[(3R)-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]prop-2-enoic acid | | Formula: | C10 H9 B O4 | | SMILES: | OB1O[CH](C(=C)C(O)=O)c2ccccc12 | | InChi: | InChI=1S/C10H9BO4/c1-6(10(12)13)9-7-4-2-3-5-8(7)11(14)15-9/h2-5,9,14H,1H2,(H,12,13)/t9-/m0/s1 | | Definition date: | 2020-12-08 | | Last modified: | 2021-12-10 | | Release date: | 2021-12-15 | | Identifier: | 2-[(3~{R})-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]prop-2-enoic acid |
|
 | | 3IX | | Name: | S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenethioate | | Formula: | C41 H66 N7 O17 P3 S | | SMILES: | CCCCCC=CCC=CCC=CCC=CCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23 | | InChi: | InChI=1S/C41H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h8-9,11-12,14-15,17-18,28-30,34-36,40,51-52H,4-7,10,13,16,19-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b9-8-,12-11-,15-14-,18-17-/t30-,34-,35-,36+,40-/m1/s1 | | Synonyms: | Arachidonyl-CoA | | Definition date: | 2021-07-19 | | Last modified: | 2021-12-07 | | Release date: | 2021-12-01 | | Identifier: | ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (5~{Z},8~{Z},11~{Z},14~{Z})-icosa-5,8,11,14-tetraenethioate |
|
 | | SSQ | | Name: | 6-((2-chlorophenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one | | Formula: | C11 H7 Cl N4 O S | | SMILES: | Clc1ccccc1SC2=NN3C(=O)NN=C3C=C2 | | InChi: | InChI=1S/C11H7ClN4OS/c12-7-3-1-2-4-8(7)18-10-6-5-9-13-14-11(17)16(9)15-10/h1-6H,(H,14,17) | | Synonyms: | 6-(2-chlorophenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one | | Definition date: | 2020-11-30 | | Last modified: | 2021-12-03 | | Release date: | 2021-12-08 | | Identifier: | 6-(2-chlorophenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one |
|
 | | SSW | | Name: | 6-((3-(trifluoromethoxy)phenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one | | Formula: | C12 H7 F3 N4 O2 S | | SMILES: | FC(F)(F)Oc1cccc(SC2=NN3C(=O)NN=C3C=C2)c1 | | InChi: | InChI=1S/C12H7F3N4O2S/c13-12(14,15)21-7-2-1-3-8(6-7)22-10-5-4-9-16-17-11(20)19(9)18-10/h1-6H,(H,17,20) | | Synonyms: | 6-[3-(trifluoromethyloxy)phenyl]sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one | | Definition date: | 2020-11-30 | | Last modified: | 2021-12-03 | | Release date: | 2021-12-08 | | Identifier: | 6-[3-(trifluoromethyloxy)phenyl]sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one |
|
 | | STK | | Name: | 3-(3-chlorophenyl)sulfanyl-1$l^{4},2,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4,7-tetraen-9-one | | Formula: | C11 H7 Cl N4 O S | | SMILES: | Clc1cccc(SC2=NN3C(=O)NN=C3C=C2)c1 | | InChi: | InChI=1S/C11H7ClN4OS/c12-7-2-1-3-8(6-7)18-10-5-4-9-13-14-11(17)16(9)15-10/h1-6H,(H,14,17) | | Definition date: | 2020-12-01 | | Last modified: | 2021-12-03 | | Release date: | 2021-12-08 | | Identifier: | 6-(3-chlorophenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one |
|
 | | SUQ | | Name: | 6-((4-chlorophenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one | | Formula: | C11 H7 Cl N4 O S | | SMILES: | Clc1ccc(SC2=NN3C(=O)NN=C3C=C2)cc1 | | InChi: | InChI=1S/C11H7ClN4OS/c12-7-1-3-8(4-2-7)18-10-6-5-9-13-14-11(17)16(9)15-10/h1-6H,(H,14,17) | | Synonyms: | 6-(4-chlorophenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one | | Definition date: | 2020-12-01 | | Last modified: | 2021-12-03 | | Release date: | 2021-12-08 | | Identifier: | 6-(4-chlorophenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one |
|
 | | SUT | | Name: | 6-(m-tolylthio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one | | Formula: | C12 H10 N4 O S | | SMILES: | Cc1cccc(SC2=NN3C(=O)NN=C3C=C2)c1 | | InChi: | InChI=1S/C12H10N4OS/c1-8-3-2-4-9(7-8)18-11-6-5-10-13-14-12(17)16(10)15-11/h2-7H,1H3,(H,14,17) | | Synonyms: | 6-(3-methylphenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one | | Definition date: | 2020-12-01 | | Last modified: | 2021-12-03 | | Release date: | 2021-12-08 | | Identifier: | 6-(3-methylphenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one |
|
 | | 5IJ | | Name: | (1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl acetate | | Formula: | C30 H39 Cl N2 O9 | | SMILES: | CC(=O)OC1CC(=O)N(C)c2cc(CC(C)=CC=CC(OC)C3(O)CC(OC(=O)N3)C(C)C3OC13C)cc(OC)c2Cl | | InChi: | InChI=1S/C30H39ClN2O9/c1-16-9-8-10-23(39-7)30(37)15-22(41-28(36)32-30)17(2)27-29(4,42-27)24(40-18(3)34)14-25(35)33(5)20-12-19(11-16)13-21(38-6)26(20)31/h8-10,12-13,17,22-24,27,37H,11,14-15H2,1-7H3,(H,32,36)/b10-8+,16-9+/t17-,22+,23-,24+,27+,29+,30+/m1/s1 | | Definition date: | 2021-07-20 | | Last modified: | 2021-12-03 | | Release date: | 2021-12-08 | | Identifier: | (1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl acetate |
|
 | | 5IS | | Name: | (1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-6-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaene-8,23-dione | | Formula: | C28 H35 Cl N2 O7 | | SMILES: | CC1C2CC(=NC(=O)O2)C(OC)C=CC=C(C)Cc2cc(c(Cl)c(OC)c2)N(C)C(=O)CC(O)C2(C)OC12 | | InChi: | InChI=1S/C28H35ClN2O7/c1-15-8-7-9-20(35-5)18-13-21(37-27(34)30-18)16(2)26-28(3,38-26)23(32)14-24(33)31(4)19-11-17(10-15)12-22(36-6)25(19)29/h7-9,11-12,16,20-21,23,26,32H,10,13-14H2,1-6H3/b9-7+,15-8+/t16-,20-,21+,23+,26+,28+/m1/s1 | | Definition date: | 2021-07-20 | | Last modified: | 2021-12-03 | | Release date: | 2021-12-08 | | Identifier: | (1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-6-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaene-8,23-dione |
|
 | | 5IX | | Name: | (1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl phenylacetate | | Formula: | C36 H43 Cl N2 O9 | | SMILES: | CC1C2CC(O)(NC(=O)O2)C(OC)C=CC=C(C)Cc2cc(c(Cl)c(OC)c2)N(C)C(=O)CC(OC(=O)Cc2ccccc2)C2(C)OC12 | | InChi: | InChI=1S/C36H43ClN2O9/c1-21-11-10-14-28(45-6)36(43)20-27(46-34(42)38-36)22(2)33-35(3,48-33)29(47-31(41)18-23-12-8-7-9-13-23)19-30(40)39(4)25-16-24(15-21)17-26(44-5)32(25)37/h7-14,16-17,22,27-29,33,43H,15,18-20H2,1-6H3,(H,38,42)/b14-10+,21-11+/t22-,27+,28-,29+,33+,35+,36+/m1/s1 | | Definition date: | 2021-07-20 | | Last modified: | 2021-12-03 | | Release date: | 2021-12-08 | | Identifier: | (1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl phenylacetate |
|
 | | PO9 | | Name: | [(2R)-2-hexadecanoyloxy-3-[oxidanyl-[(2S)-2-oxidanyl-3-phosphonooxy-propoxy]phosphoryl]oxy-propyl] (Z)-octadec-9-enoate | | Formula: | C40 H78 O13 P2 | | SMILES: | CCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCC=CCCCCCCCC)CO[P](O)(=O)OC[CH](O)CO[P](O)(O)=O | | InChi: | InChI=1S/C40H78O13P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(42)49-35-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)53-40(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-18,37-38,41H,3-16,19-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b18-17-/t37-,38+/m0/s1 | | Definition date: | 2021-01-07 | | Last modified: | 2021-12-03 | | Release date: | 2021-12-08 | | Identifier: | [(2~{R})-2-hexadecanoyloxy-3-[oxidanyl-[(2~{S})-2-oxidanyl-3-phosphonooxy-propoxy]phosphoryl]oxy-propyl] (~{Z})-octadec-9-enoate |
|
 | | 5JH | | Name: | (1R,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl heptanoate | | Formula: | C35 H49 Cl N2 O9 | | SMILES: | CCCCCCC(=O)OC1CC(=O)N(C)c2cc(CC(C)=CC=CC(OC)C3(O)CC(OC(=O)N3)C(C)C3OC13C)cc(OC)c2Cl | | InChi: | InChI=1S/C35H49ClN2O9/c1-8-9-10-11-15-30(40)46-28-19-29(39)38(5)24-17-23(18-25(43-6)31(24)36)16-21(2)13-12-14-27(44-7)35(42)20-26(45-33(41)37-35)22(3)32-34(28,4)47-32/h12-14,17-18,22,26-28,32,42H,8-11,15-16,19-20H2,1-7H3,(H,37,41)/b14-12+,21-13+/t22-,26-,27-,28+,32+,34+,35+/m1/s1 | | Definition date: | 2021-07-20 | | Last modified: | 2021-12-03 | | Release date: | 2021-12-08 | | Identifier: | (1R,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl heptanoate |
|
 | | 5JS | | Name: | (1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaen-6-yl phenylacetate | | Formula: | C36 H41 Cl N2 O8 | | SMILES: | CC1C2CC(=NC(=O)O2)C(OC)C=CC=C(C)Cc2cc(c(Cl)c(OC)c2)N(C)C(=O)CC(OC(=O)Cc2ccccc2)C2(C)OC12 | | InChi: | InChI=1S/C36H41ClN2O8/c1-21-11-10-14-27(43-5)25-19-28(45-35(42)38-25)22(2)34-36(3,47-34)30(46-32(41)18-23-12-8-7-9-13-23)20-31(40)39(4)26-16-24(15-21)17-29(44-6)33(26)37/h7-14,16-17,22,27-28,30,34H,15,18-20H2,1-6H3/b14-10+,21-11+/t22-,27-,28+,30+,34+,36+/m1/s1 | | Definition date: | 2021-07-20 | | Last modified: | 2021-12-03 | | Release date: | 2021-12-08 | | Identifier: | (1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaen-6-yl phenylacetate |
|
 | | 5KI | | Name: | (1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21(25)-hexaen-6-yl acetate | | Formula: | C30 H37 Cl N2 O8 | | SMILES: | CC(=O)OC1CC(=O)N(C)c2cc(CC(C)=CC=CC(OC)C3=CC(OC(=O)N3)C(C)C3OC13C)cc(OC)c2Cl | | InChi: | InChI=1S/C30H37ClN2O8/c1-16-9-8-10-22(37-6)20-14-23(40-29(36)32-20)17(2)28-30(4,41-28)25(39-18(3)34)15-26(35)33(5)21-12-19(11-16)13-24(38-7)27(21)31/h8-10,12-14,17,22-23,25,28H,11,15H2,1-7H3,(H,32,36)/b10-8+,16-9+/t17-,22-,23+,25+,28+,30+/m1/s1 | | Definition date: | 2021-07-20 | | Last modified: | 2021-12-03 | | Release date: | 2021-12-08 | | Identifier: | (1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21(25)-hexaen-6-yl acetate |
|
 | | 5L5 | | Name: | (1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaen-6-yl hept-6-ynoate | | Formula: | C35 H43 Cl N2 O8 | | SMILES: | C#CCCCCC(=O)OC1CC(=O)N(C)c2cc(CC(C)=CC=CC(OC)C=3CC(OC(=O)N=3)C(C)C3OC13C)cc(OC)c2Cl | | InChi: | InChI=1S/C35H43ClN2O8/c1-8-9-10-11-15-31(40)45-29-20-30(39)38(5)25-17-23(18-28(43-7)32(25)36)16-21(2)13-12-14-26(42-6)24-19-27(44-34(41)37-24)22(3)33-35(29,4)46-33/h1,12-14,17-18,22,26-27,29,33H,9-11,15-16,19-20H2,2-7H3/b14-12+,21-13+/t22-,26-,27+,29+,33+,35+/m1/s1 | | Definition date: | 2021-07-20 | | Last modified: | 2021-12-03 | | Release date: | 2021-12-08 | | Identifier: | (1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaen-6-yl hept-6-ynoate |
|
 | | 1IH | | Name: | (S)-2-((2-(6-amino-9H-purin-9-yl)ethyl)amino)-3-phosphonopropanoic acid | | Formula: | C10 H15 N6 O5 P | | SMILES: | Nc1ncnc2n(CCN[CH](C[P](O)(O)=O)C(O)=O)cnc12 | | InChi: | InChI=1S/C10H15N6O5P/c11-8-7-9(14-4-13-8)16(5-15-7)2-1-12-6(10(17)18)3-22(19,20)21/h4-6,12H,1-3H2,(H,17,18)(H2,11,13,14)(H2,19,20,21)/t6-/m1/s1 | | Definition date: | 2021-06-10 | | Last modified: | 2021-12-03 | | Release date: | 2021-12-08 | | Identifier: | (2~{S})-2-[2-(6-aminopurin-9-yl)ethylamino]-3-phosphono-propanoic acid |
|
 | | 1IK | | Name: | (S)-2-((3-(6-amino-9H-purin-9-yl)propyl)amino)-3-phosphonopropanoic acid | | Formula: | C11 H17 N6 O5 P | | SMILES: | Nc1ncnc2n(CCCN[CH](C[P](O)(O)=O)C(O)=O)cnc12 | | InChi: | InChI=1S/C11H17N6O5P/c12-9-8-10(15-5-14-9)17(6-16-8)3-1-2-13-7(11(18)19)4-23(20,21)22/h5-7,13H,1-4H2,(H,18,19)(H2,12,14,15)(H2,20,21,22)/t7-/m1/s1 | | Definition date: | 2021-06-11 | | Last modified: | 2021-12-03 | | Release date: | 2021-12-08 | | Identifier: | (2~{S})-2-[3-(6-aminopurin-9-yl)propylamino]-3-phosphono-propanoic acid |
|
 | | 1IO | | Name: | (S)-2-(2-(6-amino-9H-purin-9-yl)ethoxy)-3-phosphonopropanoic acid | | Formula: | C10 H14 N5 O6 P | | SMILES: | Nc1ncnc2n(CCO[CH](C[P](O)(O)=O)C(O)=O)cnc12 | | InChi: | InChI=1S/C10H14N5O6P/c11-8-7-9(13-4-12-8)15(5-14-7)1-2-21-6(10(16)17)3-22(18,19)20/h4-6H,1-3H2,(H,16,17)(H2,11,12,13)(H2,18,19,20)/t6-/m1/s1 | | Definition date: | 2021-06-11 | | Last modified: | 2021-12-03 | | Release date: | 2021-12-08 | | Identifier: | (2~{S})-2-[2-(6-aminopurin-9-yl)ethoxy]-3-phosphono-propanoic acid |
|
 | | 1KK | | Name: | (S)-2-(3-(6-amino-9H-purin-9-yl)propoxy)-3-phosphonopropanoic acid | | Formula: | C11 H16 N5 O6 P | | SMILES: | Nc1ncnc2n(CCCO[CH](C[P](O)(O)=O)C(O)=O)cnc12 | | InChi: | InChI=1S/C11H16N5O6P/c12-9-8-10(14-5-13-9)16(6-15-8)2-1-3-22-7(11(17)18)4-23(19,20)21/h5-7H,1-4H2,(H,17,18)(H2,12,13,14)(H2,19,20,21)/t7-/m1/s1 | | Definition date: | 2021-06-14 | | Last modified: | 2021-12-03 | | Release date: | 2021-12-08 | | Identifier: | (2~{S})-2-[3-(6-aminopurin-9-yl)propoxy]-3-phosphono-propanoic acid |
|
 | | VGW | | Name: | 2-chloranyl-4-[[4-[2-(5-cyclopropylpyrimidin-2-yl)propan-2-ylamino]-1-methyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile | | Formula: | C26 H24 Cl N7 O | | SMILES: | CN1C(=O)C=C(NC(C)(C)c2ncc(cn2)C3CC3)c4cc(Nc5ccnc(Cl)c5C#N)ccc14 | | InChi: | InChI=1S/C26H24ClN7O/c1-26(2,25-30-13-16(14-31-25)15-4-5-15)33-21-11-23(35)34(3)22-7-6-17(10-18(21)22)32-20-8-9-29-24(27)19(20)12-28/h6-11,13-15,33H,4-5H2,1-3H3,(H,29,32) | | Definition date: | 2021-05-18 | | Last modified: | 2021-12-03 | | Release date: | 2021-12-08 | | Identifier: | 2-chloranyl-4-[[4-[2-(5-cyclopropylpyrimidin-2-yl)propan-2-ylamino]-1-methyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile |
|
 | | VH5 | | Name: | 2-chloranyl-4-[[4-(4-methylpiperazin-1-yl)-2-oxidanylidene-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile | | Formula: | C20 H19 Cl N6 O | | SMILES: | CN1CCN(CC1)C2=CC(=O)Nc3ccc(Nc4ccnc(Cl)c4C#N)cc23 | | InChi: | InChI=1S/C20H19ClN6O/c1-26-6-8-27(9-7-26)18-11-19(28)25-16-3-2-13(10-14(16)18)24-17-4-5-23-20(21)15(17)12-22/h2-5,10-11H,6-9H2,1H3,(H,23,24)(H,25,28) | | Definition date: | 2021-05-18 | | Last modified: | 2021-12-03 | | Release date: | 2021-12-08 | | Identifier: | 2-chloranyl-4-[[4-(4-methylpiperazin-1-yl)-2-oxidanylidene-1~{H}-quinolin-6-yl]amino]pyridine-3-carbonitrile |
|
