 | | K3L | | Name: | 2-[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]-N-{(1R)-2-(3,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}acetamide | | Formula: | C35 H32 F2 N6 O6 S | | SMILES: | O=S(=O)(c1ccc(N)cc1)N1CC(=O)N(CC(=O)NC(Cc2cc(F)cc(F)c2)C2=Nc3ccccc3C(=O)N2c2ccc(OC)cc2)CC1 | | InChi: | InChI=1S/C35H32F2N6O6S/c1-49-27-10-8-26(9-11-27)43-34(40-30-5-3-2-4-29(30)35(43)46)31(18-22-16-23(36)19-24(37)17-22)39-32(44)20-41-14-15-42(21-33(41)45)50(47,48)28-12-6-25(38)7-13-28/h2-13,16-17,19,31H,14-15,18,20-21,38H2,1H3,(H,39,44)/t31-/m1/s1 | | Definition date: | 2023-08-10 | | Last modified: | 2023-12-15 | | Release date: | 2023-12-20 | | Identifier: | 2-[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]-N-{(1R)-2-(3,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}acetamide |
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 | | KZA | | Name: | 9-[(1~{R},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]purin-6-amine | | Formula: | C21 H24 F2 N10 O7 P2 S2 | | SMILES: | Nc1ncnc2n(cnc12)[CH]3C[CH]4CO[P](S)(=O)O[CH]5[CH](F)[CH](O[CH]5CO[P](S)(=O)O[CH]4[CH]3F)n6cnc7c(N)ncnc67 | | InChi: | InChI=1S/C21H24F2N10O7P2S2/c22-11-9(32-6-30-13-17(24)26-4-28-19(13)32)1-8-2-36-41(34,43)40-16-10(3-37-42(35,44)39-15(8)11)38-21(12(16)23)33-7-31-14-18(25)27-5-29-20(14)33/h4-12,15-16,21H,1-3H2,(H,34,43)(H,35,44)(H2,24,26,28)(H2,25,27,29)/t8-,9-,10-,11+,12-,15-,16-,21-,41-,42-/m1/s1 | | Definition date: | 2022-06-08 | | Last modified: | 2023-12-15 | | Release date: | 2023-12-20 | | Identifier: | 9-[(1~{R},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]purin-6-amine |
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 | | NUL | | Name: | (1S,2R,3R)-2-[(S)-(2-methoxy-8-methyl-quinolin-3-yl)-oxidanyl-methyl]-6,6-dimethyl-cyclohex-4-ene-1,3-diol | | Formula: | C20 H25 N O4 | | SMILES: | COc1nc2c(C)cccc2cc1[CH](O)[CH]3[CH](O)C=CC(C)(C)[CH]3O | | InChi: | InChI=1S/C20H25NO4/c1-11-6-5-7-12-10-13(19(25-4)21-16(11)12)17(23)15-14(22)8-9-20(2,3)18(15)24/h5-10,14-15,17-18,22-24H,1-4H3/t14-,15+,17-,18+/m1/s1 | | Definition date: | 2023-01-19 | | Last modified: | 2023-12-15 | | Release date: | 2023-12-20 | | Identifier: | (1~{S},2~{R},3~{R})-2-[(~{S})-(2-methoxy-8-methyl-quinolin-3-yl)-oxidanyl-methyl]-6,6-dimethyl-cyclohex-4-ene-1,3-diol |
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 | | NV0 | | Name: | 1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-propyl-quinazoline-2,4-dione | | Formula: | C20 H22 N2 O5 | | SMILES: | CCCN1C(=O)N(C)c2ccc(c(C)c2C1=O)C(=O)C3=C(O)CCCC3=O | | InChi: | InChI=1S/C20H22N2O5/c1-4-10-22-19(26)16-11(2)12(8-9-13(16)21(3)20(22)27)18(25)17-14(23)6-5-7-15(17)24/h8-9,23H,4-7,10H2,1-3H3 | | Definition date: | 2023-01-19 | | Last modified: | 2023-12-15 | | Release date: | 2023-12-20 | | Identifier: | 1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-propyl-quinazoline-2,4-dione |
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 | | OAY | | Name: | 3-(cyclopropylmethyl)-6-[(5-cyclopropyl-2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-1,5-dimethyl-quinazoline-2,4-dione | | Formula: | C22 H24 N4 O4 | | SMILES: | CN1NC(=C(C1=O)C(=O)c2ccc3N(C)C(=O)N(CC4CC4)C(=O)c3c2C)C5CC5 | | InChi: | InChI=1S/C22H24N4O4/c1-11-14(19(27)17-18(13-6-7-13)23-25(3)20(17)28)8-9-15-16(11)21(29)26(10-12-4-5-12)22(30)24(15)2/h8-9,12-13,23H,4-7,10H2,1-3H3 | | Definition date: | 2023-01-27 | | Last modified: | 2023-12-15 | | Release date: | 2023-12-20 | | Identifier: | 3-(cyclopropylmethyl)-6-[(5-cyclopropyl-2-methyl-3-oxidanylidene-1~{H}-pyrazol-4-yl)carbonyl]-1,5-dimethyl-quinazoline-2,4-dione |
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 | | M9L | | Name: | (2~{R})-2-(aminocarbonylamino)-2-(4-hydroxyphenyl)ethanoic acid | | Formula: | C9 H10 N2 O4 | | SMILES: | NC(=O)N[CH](C(O)=O)c1ccc(O)cc1 | | InChi: | InChI=1S/C9H10N2O4/c10-9(15)11-7(8(13)14)5-1-3-6(12)4-2-5/h1-4,7,12H,(H,13,14)(H3,10,11,15)/t7-/m1/s1 | | Definition date: | 2022-12-23 | | Last modified: | 2023-12-15 | | Release date: | 2023-12-20 | | Identifier: | (2~{R})-2-(aminocarbonylamino)-2-(4-hydroxyphenyl)ethanoic acid |
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 | | M9R | | Name: | 3-[(4-fluorophenyl)carbonylamino]-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzoic acid | | Formula: | C25 H21 F4 N3 O3 | | SMILES: | OC(=O)c1ccc(N2CCN(CC2)c3cccc(c3)C(F)(F)F)c(NC(=O)c4ccc(F)cc4)c1 | | InChi: | InChI=1S/C25H21F4N3O3/c26-19-7-4-16(5-8-19)23(33)30-21-14-17(24(34)35)6-9-22(21)32-12-10-31(11-13-32)20-3-1-2-18(15-20)25(27,28)29/h1-9,14-15H,10-13H2,(H,30,33)(H,34,35) | | Definition date: | 2022-12-23 | | Last modified: | 2023-12-15 | | Release date: | 2023-12-20 | | Identifier: | 3-[(4-fluorophenyl)carbonylamino]-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzoic acid |
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 | | YDO | | Name: | 5'-deoxy-5'-(ethylsulfamamido)adenosine | | Formula: | C12 H19 N7 O5 S | | SMILES: | CCNS(=O)(=O)NCC1OC(n2cnc3c(N)ncnc32)C(O)C1O | | InChi: | InChI=1S/C12H19N7O5S/c1-2-17-25(22,23)18-3-6-8(20)9(21)12(24-6)19-5-16-7-10(13)14-4-15-11(7)19/h4-6,8-9,12,17-18,20-21H,2-3H2,1H3,(H2,13,14,15)/t6-,8-,9-,12-/m1/s1 | | Definition date: | 2023-12-01 | | Last modified: | 2023-12-08 | | Release date: | 2023-12-13 | | Identifier: | 5'-deoxy-5'-(ethylsulfamamido)adenosine |
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 | | V8O | | Name: | 5-(5-methyl-6-quinolin-5-yl-pyridin-3-yl)thiophene-2-sulfonamide | | Formula: | C19 H15 N3 O2 S2 | | SMILES: | Cc1cc(cnc1c2cccc3ncccc23)c4sc(cc4)[S](N)(=O)=O | | InChi: | InChI=1S/C19H15N3O2S2/c1-12-10-13(17-7-8-18(25-17)26(20,23)24)11-22-19(12)15-4-2-6-16-14(15)5-3-9-21-16/h2-11H,1H3,(H2,20,23,24) | | Definition date: | 2023-02-27 | | Last modified: | 2023-12-08 | | Release date: | 2023-12-13 | | Identifier: | 5-(5-methyl-6-quinolin-5-yl-pyridin-3-yl)thiophene-2-sulfonamide |
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 | | XJB | | Name: | 3-[2-(3-{[2,4-diamino-6-(4-methoxyphenyl)pyrimidin-5-yl]oxy}propoxy)phenyl]propanoic acid | | Formula: | C23 H26 N4 O5 | | SMILES: | Nc1nc(c2ccc(OC)cc2)c(OCCCOc2ccccc2CCC(=O)O)c(N)n1 | | InChi: | InChI=1S/C23H26N4O5/c1-30-17-10-7-16(8-11-17)20-21(22(24)27-23(25)26-20)32-14-4-13-31-18-6-3-2-5-15(18)9-12-19(28)29/h2-3,5-8,10-11H,4,9,12-14H2,1H3,(H,28,29)(H4,24,25,26,27) | | Definition date: | 2022-11-22 | | Last modified: | 2023-12-08 | | Release date: | 2023-12-13 | | Identifier: | 3-[2-(3-{[2,4-diamino-6-(4-methoxyphenyl)pyrimidin-5-yl]oxy}propoxy)phenyl]propanoic acid |
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 | | XJN | | Name: | 3-(2-{3-[(2,4-diamino-6-pentylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid | | Formula: | C21 H30 N4 O4 | | SMILES: | Nc1nc(CCCCC)c(OCCCOc2ccccc2CCC(=O)O)c(N)n1 | | InChi: | InChI=1S/C21H30N4O4/c1-2-3-4-9-16-19(20(22)25-21(23)24-16)29-14-7-13-28-17-10-6-5-8-15(17)11-12-18(26)27/h5-6,8,10H,2-4,7,9,11-14H2,1H3,(H,26,27)(H4,22,23,24,25) | | Definition date: | 2022-11-23 | | Last modified: | 2023-12-08 | | Release date: | 2023-12-13 | | Identifier: | 3-(2-{3-[(2,4-diamino-6-pentylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid |
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 | | VQO | | Name: | methanimidate | | Formula: | C H2 N O | | SMILES: | [O-]C=N | | InChi: | InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)/p-1 | | Definition date: | 2023-08-04 | | Last modified: | 2023-12-08 | | Release date: | 2023-12-13 | | Identifier: | methanimidate |
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 | | XJT | | Name: | 3-{2-[3-({(6M)-2,4-diamino-6-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl}oxy)propoxy]phenyl}propanoic acid | | Formula: | C23 H23 F3 N4 O4 | | SMILES: | Nc1nc(c2cc(ccc2)C(F)(F)F)c(OCCCOc2ccccc2CCC(=O)O)c(N)n1 | | InChi: | InChI=1S/C23H23F3N4O4/c24-23(25,26)16-7-3-6-15(13-16)19-20(21(27)30-22(28)29-19)34-12-4-11-33-17-8-2-1-5-14(17)9-10-18(31)32/h1-3,5-8,13H,4,9-12H2,(H,31,32)(H4,27,28,29,30) | | Definition date: | 2022-11-23 | | Last modified: | 2023-12-08 | | Release date: | 2023-12-13 | | Identifier: | 3-{2-[3-({(6M)-2,4-diamino-6-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl}oxy)propoxy]phenyl}propanoic acid |
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 | | UHU | | Name: | (1~{S},2~{S},3~{S},4~{S},5~{S})-4-(hydroxymethyl)-6-azabicyclo[3.1.0]hexane-2,3-diol | | Formula: | C6 H11 N O3 | | SMILES: | OC[CH]1[CH](O)[CH](O)[CH]2N[CH]12 | | InChi: | InChI=1S/C6H11NO3/c8-1-2-3-4(7-3)6(10)5(2)9/h2-10H,1H2/t2-,3+,4+,5+,6+/m1/s1 | | Definition date: | 2023-09-05 | | Last modified: | 2023-12-08 | | Release date: | 2023-12-13 | | Identifier: | (1~{S},2~{S},3~{S},4~{S},5~{S})-4-(hydroxymethyl)-6-azabicyclo[3.1.0]hexane-2,3-diol |
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 | | XJZ | | Name: | 3-{2-[3-({2,4-diamino-6-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl}oxy)propoxy]phenyl}propanoic acid | | Formula: | C23 H23 F3 N4 O4 | | SMILES: | Nc1nc(c2ccc(cc2)C(F)(F)F)c(OCCCOc2ccccc2CCC(=O)O)c(N)n1 | | InChi: | InChI=1S/C23H23F3N4O4/c24-23(25,26)16-9-6-15(7-10-16)19-20(21(27)30-22(28)29-19)34-13-3-12-33-17-5-2-1-4-14(17)8-11-18(31)32/h1-2,4-7,9-10H,3,8,11-13H2,(H,31,32)(H4,27,28,29,30) | | Definition date: | 2022-11-23 | | Last modified: | 2023-12-08 | | Release date: | 2023-12-13 | | Identifier: | 3-{2-[3-({2,4-diamino-6-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl}oxy)propoxy]phenyl}propanoic acid |
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 | | XK8 | | Name: | 3-[2-(3-{[2,4-diamino-6-(4-hydroxybutyl)pyrimidin-5-yl]oxy}propoxy)phenyl]propanoic acid | | Formula: | C20 H28 N4 O5 | | SMILES: | Nc1nc(CCCCO)c(OCCCOc2ccccc2CCC(=O)O)c(N)n1 | | InChi: | InChI=1S/C20H28N4O5/c21-19-18(15(7-3-4-11-25)23-20(22)24-19)29-13-5-12-28-16-8-2-1-6-14(16)9-10-17(26)27/h1-2,6,8,25H,3-5,7,9-13H2,(H,26,27)(H4,21,22,23,24) | | Definition date: | 2022-11-23 | | Last modified: | 2023-12-08 | | Release date: | 2023-12-13 | | Identifier: | 3-[2-(3-{[2,4-diamino-6-(4-hydroxybutyl)pyrimidin-5-yl]oxy}propoxy)phenyl]propanoic acid |
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 | | N7C | | Name: | ~{N}-(1-methylbenzimidazol-4-yl)prop-2-enamide | | Formula: | C11 H11 N3 O | | SMILES: | Cn1cnc2c(NC(=O)C=C)cccc12 | | InChi: | InChI=1S/C11H11N3O/c1-3-10(15)13-8-5-4-6-9-11(8)12-7-14(9)2/h3-7H,1H2,2H3,(H,13,15) | | Definition date: | 2023-01-11 | | Last modified: | 2023-12-08 | | Release date: | 2023-12-13 | | Identifier: | ~{N}-(1-methylbenzimidazol-4-yl)prop-2-enamide |
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 | | XKI | | Name: | 3-{2-[3-({(6M)-2,4-diamino-6-[2-(trifluoromethyl)phenyl]pyrimidin-5-yl}oxy)propoxy]phenyl}propanoic acid | | Formula: | C23 H23 F3 N4 O4 | | SMILES: | Nc1nc(c2ccccc2C(F)(F)F)c(OCCCOc2ccccc2CCC(=O)O)c(N)n1 | | InChi: | InChI=1S/C23H23F3N4O4/c24-23(25,26)16-8-3-2-7-15(16)19-20(21(27)30-22(28)29-19)34-13-5-12-33-17-9-4-1-6-14(17)10-11-18(31)32/h1-4,6-9H,5,10-13H2,(H,31,32)(H4,27,28,29,30) | | Definition date: | 2022-11-23 | | Last modified: | 2023-12-08 | | Release date: | 2023-12-13 | | Identifier: | 3-{2-[3-({(6M)-2,4-diamino-6-[2-(trifluoromethyl)phenyl]pyrimidin-5-yl}oxy)propoxy]phenyl}propanoic acid |
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 | | YIZ | | Name: | 4-(acetamidomethyl)-N-hydroxybenzamide | | Formula: | C10 H12 N2 O3 | | SMILES: | ONC(=O)c1ccc(CNC(C)=O)cc1 | | InChi: | InChI=1S/C10H12N2O3/c1-7(13)11-6-8-2-4-9(5-3-8)10(14)12-15/h2-5,15H,6H2,1H3,(H,11,13)(H,12,14) | | Definition date: | 2023-02-06 | | Last modified: | 2023-12-08 | | Release date: | 2023-12-13 | | Identifier: | 4-(acetamidomethyl)-N-hydroxybenzamide |
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 | | YJ5 | | Name: | 4-[(N-butylpentanamido)methyl]-N-hydroxybenzamide | | Formula: | C17 H26 N2 O3 | | SMILES: | CCCCC(=O)N(CCCC)Cc1ccc(cc1)C(=O)NO | | InChi: | InChI=1S/C17H26N2O3/c1-3-5-7-16(20)19(12-6-4-2)13-14-8-10-15(11-9-14)17(21)18-22/h8-11,22H,3-7,12-13H2,1-2H3,(H,18,21) | | Definition date: | 2023-02-06 | | Last modified: | 2023-12-08 | | Release date: | 2023-12-13 | | Identifier: | 4-[(N-butylpentanamido)methyl]-N-hydroxybenzamide |
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 | | XLW | | Name: | 5-fluoro-2-({[(3M)-3-(pyrimidin-4-yl)pyridin-2-yl]amino}methyl)phenol | | Formula: | C16 H13 F N4 O | | SMILES: | Fc1ccc(CNc2ncccc2c2ccncn2)c(O)c1 | | InChi: | InChI=1S/C16H13FN4O/c17-12-4-3-11(15(22)8-12)9-20-16-13(2-1-6-19-16)14-5-7-18-10-21-14/h1-8,10,22H,9H2,(H,19,20) | | Definition date: | 2022-11-29 | | Last modified: | 2023-12-08 | | Release date: | 2023-12-13 | | Identifier: | 5-fluoro-2-({[(3M)-3-(pyrimidin-4-yl)pyridin-2-yl]amino}methyl)phenol |
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 | | XM6 | | Name: | 2-({[(2M)-[2,3'-bipyridin]-2'-yl]amino}methyl)-5-fluorophenol | | Formula: | C17 H14 F N3 O | | SMILES: | Fc1ccc(CNc2ncccc2c2ccccn2)c(O)c1 | | InChi: | InChI=1S/C17H14FN3O/c18-13-7-6-12(16(22)10-13)11-21-17-14(4-3-9-20-17)15-5-1-2-8-19-15/h1-10,22H,11H2,(H,20,21) | | Definition date: | 2022-11-29 | | Last modified: | 2023-12-08 | | Release date: | 2023-12-13 | | Identifier: | 2-({[(2M)-[2,3'-bipyridin]-2'-yl]amino}methyl)-5-fluorophenol |
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 | | XML | | Name: | 5-fluoro-2-({[(3M)-3-(1H-imidazol-4-yl)pyridin-2-yl]amino}methyl)phenol | | Formula: | C15 H13 F N4 O | | SMILES: | Fc1ccc(CNc2ncccc2c2c[NH]cn2)c(O)c1 | | InChi: | InChI=1S/C15H13FN4O/c16-11-4-3-10(14(21)6-11)7-19-15-12(2-1-5-18-15)13-8-17-9-20-13/h1-6,8-9,21H,7H2,(H,17,20)(H,18,19) | | Definition date: | 2022-11-29 | | Last modified: | 2023-12-08 | | Release date: | 2023-12-13 | | Identifier: | 5-fluoro-2-({[(3M)-3-(1H-imidazol-4-yl)pyridin-2-yl]amino}methyl)phenol |
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 | | XMR | | Name: | 5-fluoro-2-({[(3M)-3-(1,3-oxazol-4-yl)pyridin-2-yl]amino}methyl)phenol | | Formula: | C15 H12 F N3 O2 | | SMILES: | Fc1ccc(CNc2ncccc2c2cocn2)c(O)c1 | | InChi: | InChI=1S/C15H12FN3O2/c16-11-4-3-10(14(20)6-11)7-18-15-12(2-1-5-17-15)13-8-21-9-19-13/h1-6,8-9,20H,7H2,(H,17,18) | | Definition date: | 2022-11-29 | | Last modified: | 2023-12-08 | | Release date: | 2023-12-13 | | Identifier: | 5-fluoro-2-({[(3M)-3-(1,3-oxazol-4-yl)pyridin-2-yl]amino}methyl)phenol |
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 | | XMX | | Name: | 5-fluoro-2-({[(3M)-3-(1,2-oxazol-3-yl)pyridin-2-yl]amino}methyl)phenol | | Formula: | C15 H12 F N3 O2 | | SMILES: | Fc1ccc(CNc2ncccc2c2ccon2)c(O)c1 | | InChi: | InChI=1S/C15H12FN3O2/c16-11-4-3-10(14(20)8-11)9-18-15-12(2-1-6-17-15)13-5-7-21-19-13/h1-8,20H,9H2,(H,17,18) | | Definition date: | 2022-11-29 | | Last modified: | 2023-12-08 | | Release date: | 2023-12-13 | | Identifier: | 5-fluoro-2-({[(3M)-3-(1,2-oxazol-3-yl)pyridin-2-yl]amino}methyl)phenol |
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