 | | OH0 | | Name: | N-heptanoyl-N-hydroxy-beta-alanine | | Formula: | C10 H19 N O4 | | SMILES: | O=C(O)CCN(O)C(=O)CCCCCC | | InChi: | InChI=1S/C10H19NO4/c1-2-3-4-5-6-9(12)11(15)8-7-10(13)14/h15H,2-8H2,1H3,(H,13,14) | | Definition date: | 2022-05-02 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | N-heptanoyl-N-hydroxy-beta-alanine |
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 | | ONF | | Name: | 11-oxidanylidene-11-(1~{H}-pyrrol-2-yl)undecanoic acid | | Formula: | C15 H23 N O3 | | SMILES: | OC(=O)CCCCCCCCCC(=O)c1[nH]ccc1 | | InChi: | InChI=1S/C15H23NO3/c17-14(13-9-8-12-16-13)10-6-4-2-1-3-5-7-11-15(18)19/h8-9,12,16H,1-7,10-11H2,(H,18,19) | | Definition date: | 2023-02-08 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | 11-oxidanylidene-11-(1~{H}-pyrrol-2-yl)undecanoic acid |
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 | | OW1 | | Name: | Nirmatrelvir (reacted form) | | Formula: | C24 H35 F3 N4 O4 | | SMILES: | CC(C)(C)[CH](NC(=O)C(F)(F)F)C(=O)N1C[CH]2[CH]([CH]1C(=O)N[CH](C[CH]3CCNC3=O)C=C)C2(C)C | | InChi: | InChI=1S/C24H35F3N4O4/c1-7-13(10-12-8-9-28-18(12)32)29-19(33)16-15-14(23(15,5)6)11-31(16)20(34)17(22(2,3)4)30-21(35)24(25,26)27/h7,12-17H,1,8-11H2,2-6H3,(H,28,32)(H,29,33)(H,30,35)/t12-,13+,14-,15-,16-,17+/m0/s1 | | Synonyms: | (1~{R},2~{S},5~{S})-3-[(2~{S})-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]-6,6-dimethyl-~{N}-[(2~{S})-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]but-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide | | Definition date: | 2022-09-22 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | (1~{R},2~{S},5~{S})-3-[(2~{S})-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]-6,6-dimethyl-~{N}-[(2~{S})-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]but-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide |
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 | | OWI | | Name: | 4-[[9-(cyclohexylmethyl)-3-methylidene-5-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododec-1-yl]sulfonyl]-~{N},~{N}-dimethyl-aniline | | Formula: | C32 H48 N4 O4 S2 | | SMILES: | CN(C)c1ccc(cc1)[S](=O)(=O)N2CCCN(CCCN(CC(=C)C2)[S](=O)(=O)c3ccc(C)cc3)CC4CCCCC4 | | InChi: | InChI=1S/C32H48N4O4S2/c1-27-12-16-31(17-13-27)41(37,38)35-22-8-20-34(26-29-10-6-5-7-11-29)21-9-23-36(25-28(2)24-35)42(39,40)32-18-14-30(15-19-32)33(3)4/h12-19,29H,2,5-11,20-26H2,1,3-4H3 | | Definition date: | 2022-09-27 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | 4-[[9-(cyclohexylmethyl)-3-methylidene-5-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododec-1-yl]sulfonyl]-~{N},~{N}-dimethyl-aniline |
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 | | N3L | | Name: | Penicimutamide E | | Formula: | C21 H25 N3 O | | SMILES: | CC1(C)C2CC34CCCN4CC2(NC3=O)Cc2c3ccccc3[NH]c21 | | InChi: | InChI=1S/C21H25N3O/c1-19(2)16-11-21-8-5-9-24(21)12-20(16,23-18(21)25)10-14-13-6-3-4-7-15(13)22-17(14)19/h3-4,6-7,16,22H,5,8-12H2,1-2H3,(H,23,25)/t16-,20-,21+/m1/s1 | | Definition date: | 2022-03-23 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | (4R,5aS,12aR,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one |
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 | | 7NE | | Name: | ethyl 2-(naphthalen-2-ylamino)-4-oxidanylidene-furan-3-carboxylate | | Formula: | C17 H15 N O4 | | SMILES: | CCOC(=O)C1=C(Nc2ccc3ccccc3c2)OCC1=O | | InChi: | InChI=1S/C17H15NO4/c1-2-21-17(20)15-14(19)10-22-16(15)18-13-8-7-11-5-3-4-6-12(11)9-13/h3-9,18H,2,10H2,1H3 | | Definition date: | 2022-02-21 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | ethyl 2-(naphthalen-2-ylamino)-4-oxidanylidene-furan-3-carboxylate |
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 | | 7PI | | Name: | 1-((5-phenylthiophen-2-yl)sulfonyl)-1H-pyrazole | | Formula: | C13 H10 N2 O2 S2 | | SMILES: | O=[S](=O)(n1cccn1)c2sc(cc2)c3ccccc3 | | InChi: | InChI=1S/C13H10N2O2S2/c16-19(17,15-10-4-9-14-15)13-8-7-12(18-13)11-5-2-1-3-6-11/h1-10H | | Synonyms: | IMTVC-212 | | Definition date: | 2022-06-02 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | 1-(5-phenylthiophen-2-yl)sulfonylpyrazole |
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 | | 7Q8 | | Name: | 16-chloranyl-~{N},~{N}-dimethyl-15-thia-1$l^{4},12$l^{4},13-triaza-16$l^{4}-indatetracyclo[8.6.0.0^{2,7}.0^{12,16}]hexadeca-1,3,5,7,9,11,13-heptaen-14-amine | | Formula: | C13 H13 Cl In N4 S | | SMILES: | CN(C)C(=NN=Cc1ccc2ccccc2n1)S[In]Cl | | InChi: | InChI=1S/C13H14N4S.ClH.In/c1-17(2)13(18)16-14-9-11-8-7-10-5-3-4-6-12(10)15-11 | | Definition date: | 2022-02-24 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | 16-chloranyl-~{N},~{N}-dimethyl-15-thia-1$l^{4},12$l^{4},13-triaza-16$l^{4}-indatetracyclo[8.6.0.0^{2,7}.0^{12,16}]hexadeca-1,3,5,7,9,11,13-heptaen-14-amine |
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 | | K3R | | Name: | ~{N}-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-(3-pyrrolidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine | | Formula: | C29 H32 N8 O | | SMILES: | Cn1cc(cn1)c2ccc(CNc3cc(ncn3)c4cnc5cc(OCCCN6CCCC6)ccn45)cc2 | | InChi: | InChI=1S/C29H32N8O/c1-35-20-24(18-34-35)23-7-5-22(6-8-23)17-30-28-16-26(32-21-33-28)27-19-31-29-15-25(9-13-37(27)29)38-14-4-12-36-10-2-3-11-36/h5-9,13,15-16,18-21H,2-4,10-12,14,17H2,1H3,(H,30,32,33) | | Synonyms: | [4-(1-Methyl-1H-pyrazol-4-yl)-benzyl]-{6-[7-(3-pyrrolidin-1-yl-propoxy)-imidazo[1,2-a]pyridin-3-yl]-pyrimidin-4-yl}-amine | | Definition date: | 2022-05-19 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | ~{N}-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-(3-pyrrolidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine |
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 | | KCI | | Name: | 5-imidazo[1,2-a]pyridin-3-yl-~{N}-[(1~{R})-1-(6-pyrrolidin-1-ylpyridin-3-yl)ethyl]pyridin-3-amine | | Formula: | C23 H24 N6 | | SMILES: | C[CH](Nc1cncc(c1)c2cnc3ccccn23)c4ccc(nc4)N5CCCC5 | | InChi: | InChI=1S/C23H24N6/c1-17(18-7-8-22(25-14-18)28-9-4-5-10-28)27-20-12-19(13-24-15-20)21-16-26-23-6-2-3-11-29(21)23/h2-3,6-8,11-17,27H,4-5,9-10H2,1H3/t17-/m1/s1 | | Definition date: | 2022-05-24 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | 5-imidazo[1,2-a]pyridin-3-yl-~{N}-[(1~{R})-1-(6-pyrrolidin-1-ylpyridin-3-yl)ethyl]pyridin-3-amine |
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 | | 884 | | Name: | 4,4'-(1H-indole-2,6-diyl)dibenzenecarboximidamide | | Formula: | C22 H19 N5 | | SMILES: | [N@H]=C(N)c4ccc(c1ccc2c(c1)nc(c2)c3ccc(C(=[N@H])N)cc3)cc4 | | InChi: | InChI=1S/C22H19N5/c23-21(24)15-5-1-13(2-6-15)17-9-10-18-12-19(27-20(18)11-17)14-3-7-16(8-4-14)22(25)26/h1-12,27H,(H3,23,24)(H3,25,26) | | Definition date: | 2011-04-26 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | 4,4'-(1H-indole-2,6-diyl)dibenzenecarboximidamide |
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 | | R0I | | Name: | 1-[1,3-dimethyl-4-(1~{H}-1,2,3-triazol-5-yl)imidazol-1-ium-2-yl]-1,2',11'-trimethyl-spiro[1$l^{6}-platinacycloprop-2-ene-1,15'-1,12-diaza-15$l^{6}-platinatetracyclo[10.2.1.0^{5,14}.0^{8,13}]pentadeca-2,4,6,8,10,13-hexaene] | | Formula: | C24 H26 N7 Pt | | SMILES: | Cn1c(c[n+](C)c1[Pt++]2(C)N3C(=CC=C4C=CC5=CC=C(C)N2C5=C34)C)c6[nH]nnc6.C=C | | InChi: | InChI=1S/C14H12N2.C7H9N5.C2H2.CH3.Pt/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9 | | Definition date: | 2022-11-21 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | 1-[1,3-dimethyl-4-(1~{H}-1,2,3-triazol-5-yl)imidazol-1-ium-2-yl]-1,2',11'-trimethyl-spiro[1$l^{6}-platinacycloprop-2-ene-1,15'-1,12-diaza-15$l^{6}-platinatetracyclo[10.2.1.0^{5,14}.0^{8,13}]pentadeca-2,4,6,8,10,13-hexaene] |
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 | | 8B8 | | Name: | (2S)-3-(1H-indol-3-yl)-N-[[1-(5-methoxypyridin-2-yl)cyclohexyl]methyl]-2-methyl-2-[(4-nitrophenyl)carbamoylamino]propanamide | | Formula: | C32 H36 N6 O5 | | SMILES: | COc1ccc(nc1)C2(CCCCC2)CNC(=O)[C](C)(Cc3c[nH]c4ccccc34)NC(=O)Nc5ccc(cc5)[N+]([O-])=O | | InChi: | InChI=1S/C32H36N6O5/c1-31(18-22-19-33-27-9-5-4-8-26(22)27,37-30(40)36-23-10-12-24(13-11-23)38(41)42)29(39)35-21-32(16-6-3-7-17-32)28-15-14-25(43-2)20-34-28/h4-5,8-15,19-20,33H,3,6-7,16-18,21H2,1-2H3,(H,35,39)(H2,36,37,40)/t31-/m0/s1 | | Definition date: | 2021-12-01 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | (2~{S})-3-(1~{H}-indol-3-yl)-~{N}-[[1-(5-methoxypyridin-2-yl)cyclohexyl]methyl]-2-methyl-2-[(4-nitrophenyl)carbamoylamino]propanamide |
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 | | IH0 | | Name: | [(S)-methylsulfinyl]benzene | | Formula: | C7 H8 O S | | SMILES: | C[S](=O)c1ccccc1 | | InChi: | InChI=1S/C7H8OS/c1-9(8)7-5-3-2-4-6-7/h2-6H,1H3/t9-/m0/s1 | | Synonyms: | (S)-methyl phenylsulfoxide | | Definition date: | 2022-03-21 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | [(~{S})-methylsulfinyl]benzene |
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 | | IKF | | Name: | phenylsulfinylmethylbenzene | | Formula: | C13 H12 O S | | SMILES: | O=[S](Cc1ccccc1)c2ccccc2 | | InChi: | InChI=1S/C13H12OS/c14-15(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2/t15-/m0/s1 | | Definition date: | 2022-03-28 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | phenylsulfinylmethylbenzene |
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 | | AQL | | Name: | 8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-9-oxidanyl-5-(pyridin-4-ylmethoxy)pyrano[3,2-b]xanthen-6-one | | Formula: | C30 H29 N O6 | | SMILES: | COc1c(O)cc2Oc3cc4OC(C)(C)C=Cc4c(OCc5ccncc5)c3C(=O)c2c1CC=C(C)C | | InChi: | InChI=1S/C30H29NO6/c1-17(2)6-7-20-25-23(14-21(32)28(20)34-5)36-24-15-22-19(8-11-30(3,4)37-22)29(26(24)27(25)33)35-16-18-9-12-31-13-10-18/h6,8-15,32H,7,16H2,1-5H3 | | Definition date: | 2022-03-25 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | 8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-9-oxidanyl-5-(pyridin-4-ylmethoxy)pyrano[3,2-b]xanthen-6-one |
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 | | AWI | | Name: | 9-(cyclopropylmethoxy)-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5-(pyridin-4-ylmethoxy)pyrano[3,2-b]xanthen-6-one | | Formula: | C34 H35 N O6 | | SMILES: | COc1c(OCC2CC2)cc3Oc4cc5OC(C)(C)C=Cc5c(OCc6ccncc6)c4C(=O)c3c1CC=C(C)C | | InChi: | InChI=1S/C34H35NO6/c1-20(2)6-9-24-29-26(17-28(32(24)37-5)38-18-21-7-8-21)40-27-16-25-23(10-13-34(3,4)41-25)33(30(27)31(29)36)39-19-22-11-14-35-15-12-22/h6,10-17,21H,7-9,18-19H2,1-5H3 | | Definition date: | 2022-03-25 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | 9-(cyclopropylmethoxy)-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5-(pyridin-4-ylmethoxy)pyrano[3,2-b]xanthen-6-one |
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 | | TXV | | Name: | ~{N}-[3-[(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-bis(fluoranyl)phenyl]-3-(2-cyanopropan-2-yl)benzamide | | Formula: | C25 H17 Cl F2 N4 O2 | | SMILES: | CC(C)(C#N)c1cccc(c1)C(=O)Nc2ccc(F)c(c2F)C(=O)c3c[nH]c4ncc(Cl)cc34 | | InChi: | InChI=1S/C25H17ClF2N4O2/c1-25(2,12-29)14-5-3-4-13(8-14)24(34)32-19-7-6-18(27)20(21(19)28)22(33)17-11-31-23-16(17)9-15(26)10-30-23/h3-11H,1-2H3,(H,30,31)(H,32,34) | | Definition date: | 2023-01-18 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | ~{N}-[3-[(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-bis(fluoranyl)phenyl]-3-(2-cyanopropan-2-yl)benzamide |
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 | | UGO | | Name: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{6-[2-nitro-4-(pyrimidin-2-yl)anilino]hexyl}piperidine-3,4,5-triol | | Formula: | C22 H32 N5 O6 | | SMILES: | O=N(=O)c1cc(ccc1NCCCCCCN1CC(O)C(O)C(O)C1CO)c1ncccn1 | | InChi: | InChI=1S/C22H32N5O6/c28-14-18-20(30)21(31)19(29)13-26(18)11-4-2-1-3-8-23-16-7-6-15(12-17(16)27(32)33)22-24-9-5-10-25-22/h5-7,9-10,12,18-21,23,28-32H,1-4,8,11,13-14H2/t18-,19+,20-,21-/m1/s1 | | Definition date: | 2022-08-18 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{6-[2-nitro-4-(pyrimidin-2-yl)anilino]hexyl}piperidine-3,4,5-triol |
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 | | UIO | | Name: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-({(4M)-4-[2-(morpholin-4-yl)pyrimidin-4-yl]-2-nitrophenyl}amino)hexyl]piperidine-3,4,5-triol | | Formula: | C26 H38 N6 O7 | | SMILES: | OCC1C(O)C(O)C(O)CN1CCCCCCNc1ccc(cc1[N+]([O-])=O)c1nc(ncc1)N1CCOCC1 | | InChi: | InChI=1S/C26H38N6O7/c33-17-22-24(35)25(36)23(34)16-31(22)10-4-2-1-3-8-27-20-6-5-18(15-21(20)32(37)38)19-7-9-28-26(29-19)30-11-13-39-14-12-30/h5-7,9,15,22-25,27,33-36H,1-4,8,10-14,16-17H2/t22-,23+,24-,25-/m1/s1 | | Definition date: | 2022-08-19 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-({(4M)-4-[2-(morpholin-4-yl)pyrimidin-4-yl]-2-nitrophenyl}amino)hexyl]piperidine-3,4,5-triol |
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 | | UU6 | | Name: | (1S)-1-[(1P)-1-{6-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl}-1H-indazol-6-yl]spiro[2.2]pentane-1-carbonitrile | | Formula: | C24 H26 N6 O | | SMILES: | CC(C)(O)C1CCN(C1)c1cc(ncn1)n1ncc2ccc(cc21)C1(C#N)CC21CC2 | | InChi: | InChI=1S/C24H26N6O/c1-22(2,31)18-5-8-29(12-18)20-10-21(27-15-26-20)30-19-9-17(4-3-16(19)11-28-30)24(14-25)13-23(24)6-7-23/h3-4,9-11,15,18,31H,5-8,12-13H2,1-2H3/t18-,24-/m1/s1 | | Definition date: | 2022-08-26 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | (1S)-1-[(1P)-1-{6-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl}-1H-indazol-6-yl]spiro[2.2]pentane-1-carbonitrile |
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 | | UUF | | Name: | 2-[(1r,4r)-2-{(6P)-6-[(6M)-6-(1H-pyrazol-5-yl)-1H-indazol-1-yl]pyrimidin-4-yl}-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol | | Formula: | C22 H23 N7 O | | SMILES: | CC(C)(O)C12CC(C1)N(C2)c1cc(ncn1)n1ncc2ccc(cc12)c1ccn[NH]1 | | InChi: | InChI=1S/C22H23N7O/c1-21(2,30)22-9-16(10-22)28(12-22)19-8-20(24-13-23-19)29-18-7-14(17-5-6-25-27-17)3-4-15(18)11-26-29/h3-8,11,13,16,30H,9-10,12H2,1-2H3,(H,25,27)/t16-,22- | | Definition date: | 2022-08-26 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | 2-[(1r,4r)-2-{(6P)-6-[(6M)-6-(1H-pyrazol-5-yl)-1H-indazol-1-yl]pyrimidin-4-yl}-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol |
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 | | C84 | | Name: | [(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-N-[9-[(2R,3S,5R)-5-[[[(2R,3S)-4-methyl-2,3-bis(oxidanyl)pentanoyl]amino]-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]purin-6-yl]phosphonamidic acid | | Formula: | C21 H34 N6 O16 P2 | | SMILES: | CC(C)[CH](O)[CH](O)C(=O)N[P](O)(=O)O[CH]1C[CH](O)[CH](O1)n2cnc3c(N[P](O)(=O)O[CH]4[CH](O)O[CH](CO)[CH](O)[CH]4O)ncnc23 | | InChi: | InChI=1S/C21H34N6O16P2/c1-7(2)12(30)15(33)19(34)26-45(38,39)42-10-3-8(29)20(41-10)27-6-24-11-17(22-5-23-18(11)27)25-44(36,37)43-16-14(32)13(31)9(4-28)40-21(16)35/h5-10,12-16,20-21,28-33,35H,3-4H2,1-2H3,(H2,26,34,38,39)(H2,22,23,25,36,37)/t8-,9+,10+,12-,13+,14-,15+,16+,20+,21+/m0/s1 | | Synonyms: | Agrocin 84 (beta-D-glucopyranose form) | | Definition date: | 2014-04-02 | | Last modified: | 2023-02-15 | | Release date: | 2015-08-19 | | Identifier: | [(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-~{N}-[9-[(2~{R},3~{S},5~{R})-5-[[[(2~{R},3~{S})-4-methyl-2,3-bis(oxidanyl)pentanoyl]amino]-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]purin-6-yl]phosphonamidic acid |
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 | | 6YG | | Name: | (6P)-2-{(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-3-yl}-6-(thiophen-2-yl)pyrimidin-4-ol | | Formula: | C19 H21 N5 O2 S | | SMILES: | COc1ncc(cn1)CN1CCCC(C1)c1nc(O)cc(n1)c1cccs1 | | InChi: | InChI=1S/C19H21N5O2S/c1-26-19-20-9-13(10-21-19)11-24-6-2-4-14(12-24)18-22-15(8-17(25)23-18)16-5-3-7-27-16/h3,5,7-10,14H,2,4,6,11-12H2,1H3,(H,22,23,25)/t14-/m0/s1 | | Definition date: | 2016-07-26 | | Last modified: | 2023-02-13 | | Release date: | 2016-08-23 | | Identifier: | (6P)-2-{(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-3-yl}-6-(thiophen-2-yl)pyrimidin-4-ol |
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 | | HIH | | Name: | ethyl 1-(2-piperidin-4-ylethyl)-5-pyridin-4-yl-indole-2-carboxylate | | Formula: | C23 H27 N3 O2 | | SMILES: | CCOC(=O)c1cc2cc(ccc2n1CCC3CCNCC3)c4ccncc4 | | InChi: | InChI=1S/C23H27N3O2/c1-2-28-23(27)22-16-20-15-19(18-7-12-25-13-8-18)3-4-21(20)26(22)14-9-17-5-10-24-11-6-17/h3-4,7-8,12-13,15-17,24H,2,5-6,9-11,14H2,1H3 | | Definition date: | 2022-02-07 | | Last modified: | 2023-02-10 | | Release date: | 2023-02-15 | | Identifier: | ethyl 1-(2-piperidin-4-ylethyl)-5-pyridin-4-yl-indole-2-carboxylate |
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