 | | UCF | | Name: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)butanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid | | Formula: | C33 H38 Cl N O8 S | | SMILES: | CC[CH](C(=O)N1CCCC[CH]1C(=O)O[CH](CCc2ccc(OC)c(OC)c2)c3cccc(OCC(O)=O)c3)c4sc(Cl)cc4 | | InChi: | InChI=1S/C33H38ClNO8S/c1-4-24(29-15-16-30(34)44-29)32(38)35-17-6-5-10-25(35)33(39)43-26(22-8-7-9-23(19-22)42-20-31(36)37)13-11-21-12-14-27(40-2)28(18-21)41-3/h7-9,12,14-16,18-19,24-26H,4-6,10-11,13,17,20H2,1-3H3,(H,36,37)/t24-,25+,26-/m1/s1 | | Definition date: | 2023-02-01 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)butanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid |
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 | | UCO | | Name: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid | | Formula: | C40 H44 Cl N O11 S | | SMILES: | COc1ccc(CC[CH](OC(=O)[CH]2CCCCN2C(=O)[CH](c3sc(Cl)cc3)c4cc(OC)c(OC)c(OC)c4)c5cccc(OCC(O)=O)c5)cc1OC | | InChi: | InChI=1S/C40H44ClNO11S/c1-47-30-15-13-24(19-31(30)48-2)12-14-29(25-9-8-10-27(20-25)52-23-36(43)44)53-40(46)28-11-6-7-18-42(28)39(45)37(34-16-17-35(41)54-34)26-21-32(49-3)38(51-5)33(22-26)50-4/h8-10,13,15-17,19-22,28-29,37H,6-7,11-12,14,18,23H2,1-5H3,(H,43,44)/t28-,29+,37+/m0/s1 | | Definition date: | 2023-02-01 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid |
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 | | UCT | | Name: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)propanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid | | Formula: | C32 H36 Cl N O8 S | | SMILES: | COc1ccc(CC[CH](OC(=O)[CH]2CCCCN2C(=O)[CH](C)c3sc(Cl)cc3)c4cccc(OCC(O)=O)c4)cc1OC | | InChi: | InChI=1S/C32H36ClNO8S/c1-20(28-14-15-29(33)43-28)31(37)34-16-5-4-9-24(34)32(38)42-25(22-7-6-8-23(18-22)41-19-30(35)36)12-10-21-11-13-26(39-2)27(17-21)40-3/h6-8,11,13-15,17-18,20,24-25H,4-5,9-10,12,16,19H2,1-3H3,(H,35,36)/t20-,24+,25-/m1/s1 | | Definition date: | 2023-02-01 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)propanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid |
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 | | KOF | | Name: | beta-D-ribosyl-(1->1)-D-ribitol-5-phosphate | | Formula: | C10 H21 O12 P | | SMILES: | OC[CH]1O[CH](OC[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)[CH](O)[CH]1O | | InChi: | InChI=1S/C10H21O12P/c11-1-6-8(15)9(16)10(22-6)20-2-4(12)7(14)5(13)3-21-23(17,18)19/h4-16H,1-3H2,(H2,17,18,19)/t4-,5+,6+,7-,8+,9+,10+/m0/s1 | | Synonyms: | (2R,3S,4S)-5-(((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-2,3,4-trihydroxypentyl hydrogen phosphate | | Definition date: | 2022-05-31 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | [(2~{R},3~{S},4~{S})-5-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate |
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 | | G1I | | Name: | (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol | | Formula: | C11 H15 N O3 | | SMILES: | CN[CH]1CCc2c(O)c(O)ccc2[CH]1O | | InChi: | InChI=1S/C11H15NO3/c1-12-8-4-2-7-6(10(8)14)3-5-9(13)11(7)15/h3,5,8,10,12-15H,2,4H2,1H3/t8-,10-/m1/s1 | | Definition date: | 2022-05-02 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | (5~{R},6~{R})-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol |
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 | | LKV | | Name: | (2~{S})-2-[[(2~{S})-3-methyl-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)butanoyl]amino]propanoic acid | | Formula: | C16 H20 N2 O4 | | SMILES: | CC(C)[CH](N1Cc2ccccc2C1=O)C(=O)N[CH](C)C(O)=O | | InChi: | InChI=1S/C16H20N2O4/c1-9(2)13(14(19)17-10(3)16(21)22)18-8-11-6-4-5-7-12(11)15(18)20/h4-7,9-10,13H,8H2,1-3H3,(H,17,19)(H,21,22)/t10-,13-/m0/s1 | | Definition date: | 2022-07-06 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | (2~{S})-2-[[(2~{S})-3-methyl-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)butanoyl]amino]propanoic acid |
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 | | LL6 | | Name: | (2~{S})-2-[[(2~{S})-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)-3-phenyl-propanoyl]amino]propanoic acid | | Formula: | C20 H20 N2 O4 | | SMILES: | C[CH](NC(=O)[CH](Cc1ccccc1)N2Cc3ccccc3C2=O)C(O)=O | | InChi: | InChI=1S/C20H20N2O4/c1-13(20(25)26)21-18(23)17(11-14-7-3-2-4-8-14)22-12-15-9-5-6-10-16(15)19(22)24/h2-10,13,17H,11-12H2,1H3,(H,21,23)(H,25,26)/t13-,17-/m0/s1 | | Definition date: | 2022-07-06 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | (2~{S})-2-[[(2~{S})-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)-3-phenyl-propanoyl]amino]propanoic acid |
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 | | LLV | | Name: | (2S)-2-[[(2S)-2-(6-bromanyl-3-oxidanylidene-1H-isoindol-2-yl)-3-[4-(5-ethanoyl-2-fluoranyl-phenyl)phenyl]propanoyl]amino]propanoic acid | | Formula: | C28 H24 Br F N2 O5 | | SMILES: | C[CH](NC(=O)[CH](Cc1ccc(cc1)c2cc(ccc2F)C(C)=O)N3Cc4cc(Br)ccc4C3=O)C(O)=O | | InChi: | InChI=1S/C28H24BrFN2O5/c1-15(28(36)37)31-26(34)25(32-14-20-12-21(29)8-9-22(20)27(32)35)11-17-3-5-18(6-4-17)23-13-19(16(2)33)7-10-24(23)30/h3-10,12-13,15,25H,11,14H2,1-2H3,(H,31,34)(H,36,37)/t15-,25-/m0/s1 | | Definition date: | 2022-07-07 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | (2~{S})-2-[[(2~{S})-2-(6-bromanyl-3-oxidanylidene-1~{H}-isoindol-2-yl)-3-[4-(5-ethanoyl-2-fluoranyl-phenyl)phenyl]propanoyl]amino]propanoic acid |
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 | | LN2 | | Name: | (2~{S})-2-[[(2~{S})-3-[4-(5-ethanoyl-2-fluoranyl-phenyl)phenyl]-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)propanoyl]amino]propanoic acid | | Formula: | C28 H25 F N2 O5 | | SMILES: | C[CH](NC(=O)[CH](Cc1ccc(cc1)c2cc(ccc2F)C(C)=O)N3Cc4ccccc4C3=O)C(O)=O | | InChi: | InChI=1S/C28H25FN2O5/c1-16(28(35)36)30-26(33)25(31-15-21-5-3-4-6-22(21)27(31)34)13-18-7-9-19(10-8-18)23-14-20(17(2)32)11-12-24(23)29/h3-12,14,16,25H,13,15H2,1-2H3,(H,30,33)(H,35,36)/t16-,25-/m0/s1 | | Definition date: | 2022-07-07 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | (2~{S})-2-[[(2~{S})-3-[4-(5-ethanoyl-2-fluoranyl-phenyl)phenyl]-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)propanoyl]amino]propanoic acid |
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 | | LRA | | Name: | (2R)-3-(4-bromophenyl)-2-(3-hydroxyphenyl)-4-oxidanyl-2H-furan-5-one | | Formula: | C16 H11 Br O4 | | SMILES: | Oc1cccc(c1)[CH]2OC(=O)C(=C2c3ccc(Br)cc3)O | | InChi: | InChI=1S/C16H11BrO4/c17-11-6-4-9(5-7-11)13-14(19)16(20)21-15(13)10-2-1-3-12(18)8-10/h1-8,15,18-19H/t15-/m1/s1 | | Definition date: | 2022-07-11 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | (2~{R})-3-(4-bromophenyl)-2-(3-hydroxyphenyl)-4-oxidanyl-2~{H}-furan-5-one |
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 | | IAT | | Name: | [4-(1,2,4-triazol-1-yl)phenyl] (1~{S},2~{R},4~{S})-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate | | Formula: | C26 H21 N3 O6 S | | SMILES: | Oc1ccc(cc1)C2=C([CH]3O[CH]2C[CH]3[S](=O)(=O)Oc4ccc(cc4)n5cncn5)c6ccc(O)cc6 | | InChi: | InChI=1S/C26H21N3O6S/c30-19-7-1-16(2-8-19)24-22-13-23(26(34-22)25(24)17-3-9-20(31)10-4-17)36(32,33)35-21-11-5-18(6-12-21)29-15-27-14-28-29/h1-12,14-15,22-23,26,30-31H,13H2/t22-,23+,26+/m0/s1 | | Definition date: | 2022-06-24 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | [4-(1,2,4-triazol-1-yl)phenyl] (1~{S},2~{R},4~{S})-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate |
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 | | IC7 | | Name: | [4-(trifluoromethyl)phenyl] (1~{S},2~{R},4~{S})-5-(4-hydroxyphenyl)-6-[4-(1,2,4-triazol-1-yl)phenyl]-7-oxabicyclo[2.2.1]heptane-2-sulfonate | | Formula: | C27 H20 F3 N3 O5 S | | SMILES: | Oc1ccc(cc1)C2=C([CH]3O[CH]2C[CH]3[S](=O)(=O)Oc4ccc(cc4)C(F)(F)F)c5ccc(cc5)n6cncn6 | | InChi: | InChI=1S/C27H20F3N3O5S/c28-27(29,30)18-5-11-21(12-6-18)38-39(35,36)23-13-22-24(16-3-9-20(34)10-4-16)25(26(23)37-22)17-1-7-19(8-2-17)33-15-31-14-32-33/h1-12,14-15,22-23,26,34H,13H2/t22-,23+,26+/m0/s1 | | Definition date: | 2022-06-27 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | [4-(trifluoromethyl)phenyl] (1~{S},2~{R},4~{S})-5-(4-hydroxyphenyl)-6-[4-(1,2,4-triazol-1-yl)phenyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate |
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 | | L2R | | Name: | (2~{S})-2-[bis(1~{H}-imidazol-4-ylmethyl)amino]-5-(3-phenyl-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl)pentanoic acid | | Formula: | C21 H24 N8 O2 S | | SMILES: | OC(=O)[CH](CCCN1C(=S)NN=C1c2ccccc2)N(Cc3c[nH]cn3)Cc4c[nH]cn4 | | InChi: | InChI=1S/C21H24N8O2S/c30-20(31)18(28(11-16-9-22-13-24-16)12-17-10-23-14-25-17)7-4-8-29-19(26-27-21(29)32)15-5-2-1-3-6-15/h1-3,5-6,9-10,13-14,18H,4,7-8,11-12H2,(H,22,24)(H,23,25)(H,27,32)(H,30,31)/t18-/m0/s1 | | Definition date: | 2022-06-14 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | (2~{S})-2-[bis(1~{H}-imidazol-4-ylmethyl)amino]-5-(3-phenyl-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl)pentanoic acid |
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 | | L6L | | Name: | 3-[2-(dimethylamino)ethyldisulfanyl]-1-[4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propan-1-one | | Formula: | C19 H27 F3 N2 O2 S2 | | SMILES: | CN(C)CCSSCCC(=O)N1CCC(O)(CC1)c2cccc(c2)C(F)(F)F | | InChi: | InChI=1S/C19H27F3N2O2S2/c1-23(2)11-13-28-27-12-6-17(25)24-9-7-18(26,8-10-24)15-4-3-5-16(14-15)19(20,21)22/h3-5,14,26H,6-13H2,1-2H3 | | Definition date: | 2022-06-20 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | 3-[2-(dimethylamino)ethyldisulfanyl]-1-[4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propan-1-one |
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 | | L70 | | Name: | (3~{S})-1-[2-azanyl-3,5-bis(chloranyl)phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide | | Formula: | C19 H28 Cl2 N4 O2 S2 | | SMILES: | CN(C)CCSSCCNC(=O)[CH]1CCCN(C1)C(=O)c2cc(Cl)cc(Cl)c2N | | InChi: | InChI=1S/C19H28Cl2N4O2S2/c1-24(2)7-9-29-28-8-5-23-18(26)13-4-3-6-25(12-13)19(27)15-10-14(20)11-16(21)17(15)22/h10-11,13H,3-9,12,22H2,1-2H3,(H,23,26)/t13-/m0/s1 | | Definition date: | 2022-06-20 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | (3~{S})-1-[2-azanyl-3,5-bis(chloranyl)phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide |
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 | | L7L | | Name: | (3~{S})-1-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide | | Formula: | C19 H27 Cl2 N3 O3 S2 | | SMILES: | CN(C)CCSSCCNC(=O)[CH]1CCCN(C1)C(=O)c2cc(Cl)c(O)c(Cl)c2 | | InChi: | InChI=1S/C19H27Cl2N3O3S2/c1-23(2)7-9-29-28-8-5-22-18(26)13-4-3-6-24(12-13)19(27)14-10-15(20)17(25)16(21)11-14/h10-11,13,25H,3-9,12H2,1-2H3,(H,22,26)/t13-/m0/s1 | | Definition date: | 2022-06-20 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | (3~{S})-1-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide |
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 | | L7U | | Name: | ~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]-1-[(2~{R})-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-4-carboxamide | | Formula: | C26 H37 N3 O3 S2 | | SMILES: | COc1ccc2cc(ccc2c1)[CH](C)C(=O)N3CCC(CC3)C(=O)NCCSSCCN(C)C | | InChi: | InChI=1S/C26H37N3O3S2/c1-19(21-5-6-23-18-24(32-4)8-7-22(23)17-21)26(31)29-12-9-20(10-13-29)25(30)27-11-15-33-34-16-14-28(2)3/h5-8,17-20H,9-16H2,1-4H3,(H,27,30)/t19-/m1/s1 | | Definition date: | 2022-06-20 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | ~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]-1-[(2~{R})-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-4-carboxamide |
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 | | NQR | | Name: | (4-methylfuro[3,2-c]quinolin-2-yl)(piperidin-1-yl)methanone | | Formula: | C18 H18 N2 O2 | | SMILES: | Cc1nc2ccccc2c2oc(cc12)C(=O)N1CCCCC1 | | InChi: | InChI=1S/C18H18N2O2/c1-12-14-11-16(18(21)20-9-5-2-6-10-20)22-17(14)13-7-3-4-8-15(13)19-12/h3-4,7-8,11H,2,5-6,9-10H2,1H3 | | Definition date: | 2022-04-07 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | (4-methylfuro[3,2-c]quinolin-2-yl)(piperidin-1-yl)methanone |
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 | | 2IV | | Name: | (3~{S},8~{a}~{S})-3-[(4-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione | | Formula: | C16 H16 F N3 O2 | | SMILES: | Fc1cccc2[nH]cc(C[CH]3NC(=O)[CH]4CCCN4C3=O)c12 | | InChi: | InChI=1S/C16H16FN3O2/c17-10-3-1-4-11-14(10)9(8-18-11)7-12-16(22)20-6-2-5-13(20)15(21)19-12/h1,3-4,8,12-13,18H,2,5-7H2,(H,19,21)/t12-,13-/m0/s1 | | Definition date: | 2022-12-19 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | (3~{S},8~{a}~{S})-3-[(4-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
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 | | OX8 | | Name: | 1,12-bis(oxidanyl)-1,6,12,17-tetrazacyclodocosane-2,5,13,16-tetrone | | Formula: | C18 H32 N4 O6 | | SMILES: | ON1CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O | | InChi: | InChI=1S/C18H32N4O6/c23-15-7-10-18(26)22(28)14-6-2-4-12-20-16(24)8-9-17(25)21(27)13-5-1-3-11-19-15/h27-28H,1-14H2,(H,19,23)(H,20,24) | | Definition date: | 2022-09-27 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | 1,12-bis(oxidanyl)-1,6,12,17-tetrazacyclodocosane-2,5,13,16-tetrone |
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 | | JH9 | | Name: | [4-[(2~{S})-3-[(4-fluoranyl-3-prop-2-enyl-phenyl)methylamino]-2-[2-(4-fluorophenyl)ethanoylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate | | Formula: | C27 H27 F2 N2 O6 P | | SMILES: | O[P](O)(=O)Oc1ccc(C[CH](NC(=O)Cc2ccc(F)cc2)C(=O)NCc3ccc(F)c(CC=C)c3)cc1 | | InChi: | InChI=1S/C27H27F2N2O6P/c1-2-3-21-14-20(8-13-24(21)29)17-30-27(33)25(31-26(32)16-19-4-9-22(28)10-5-19)15-18-6-11-23(12-7-18)37-38(34,35)36/h2,4-14,25H,1,3,15-17H2,(H,30,33)(H,31,32)(H2,34,35,36)/t25-/m0/s1 | | Definition date: | 2022-04-27 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | [4-[(2~{S})-3-[(4-fluoranyl-3-prop-2-enyl-phenyl)methylamino]-2-[2-(4-fluorophenyl)ethanoylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate |
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 | | JHR | | Name: | [4-[(2~{S})-2-[2-(4-fluorophenyl)ethanoylamino]-3-[(4-fluorophenyl)methylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate | | Formula: | C24 H23 F2 N2 O6 P | | SMILES: | O[P](O)(=O)Oc1ccc(C[CH](NC(=O)Cc2ccc(F)cc2)C(=O)NCc3ccc(F)cc3)cc1 | | InChi: | InChI=1S/C24H23F2N2O6P/c25-19-7-1-17(2-8-19)14-23(29)28-22(24(30)27-15-18-3-9-20(26)10-4-18)13-16-5-11-21(12-6-16)34-35(31,32)33/h1-12,22H,13-15H2,(H,27,30)(H,28,29)(H2,31,32,33)/t22-/m0/s1 | | Definition date: | 2022-04-27 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | [4-[(2~{S})-2-[2-(4-fluorophenyl)ethanoylamino]-3-[(4-fluorophenyl)methylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate |
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 | | JI0 | | Name: | [4-[(2~{S})-3-[(3-ethyl-4-fluoranyl-phenyl)methylamino]-2-[2-(4-fluorophenyl)ethanoylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate | | Formula: | C26 H27 F2 N2 O6 P | | SMILES: | CCc1cc(CNC(=O)[CH](Cc2ccc(O[P](O)(O)=O)cc2)NC(=O)Cc3ccc(F)cc3)ccc1F | | InChi: | InChI=1S/C26H27F2N2O6P/c1-2-20-13-19(7-12-23(20)28)16-29-26(32)24(30-25(31)15-18-3-8-21(27)9-4-18)14-17-5-10-22(11-6-17)36-37(33,34)35/h3-13,24H,2,14-16H2,1H3,(H,29,32)(H,30,31)(H2,33,34,35)/t24-/m0/s1 | | Definition date: | 2022-04-27 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | [4-[(2~{S})-3-[(3-ethyl-4-fluoranyl-phenyl)methylamino]-2-[2-(4-fluorophenyl)ethanoylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate |
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 | | JI9 | | Name: | [4-[(2~{S})-3-[(4-fluoranyl-3-methyl-phenyl)methylamino]-2-[2-(4-fluorophenyl)ethanoylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate | | Formula: | C25 H25 F2 N2 O6 P | | SMILES: | Cc1cc(CNC(=O)[CH](Cc2ccc(O[P](O)(O)=O)cc2)NC(=O)Cc3ccc(F)cc3)ccc1F | | InChi: | InChI=1S/C25H25F2N2O6P/c1-16-12-19(6-11-22(16)27)15-28-25(31)23(29-24(30)14-18-2-7-20(26)8-3-18)13-17-4-9-21(10-5-17)35-36(32,33)34/h2-12,23H,13-15H2,1H3,(H,28,31)(H,29,30)(H2,32,33,34)/t23-/m0/s1 | | Definition date: | 2022-04-27 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | [4-[(2~{S})-3-[(4-fluoranyl-3-methyl-phenyl)methylamino]-2-[2-(4-fluorophenyl)ethanoylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate |
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 | | JIH | | Name: | [4-[(2~{S})-3-[[3-(2-chloranylethanoylamino)phenyl]methylamino]-2-[2-(4-fluorophenyl)ethanoylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate | | Formula: | C26 H26 Cl F N3 O7 P | | SMILES: | O[P](O)(=O)Oc1ccc(C[CH](NC(=O)Cc2ccc(F)cc2)C(=O)NCc3cccc(NC(=O)CCl)c3)cc1 | | InChi: | InChI=1S/C26H26ClFN3O7P/c27-15-25(33)30-21-3-1-2-19(12-21)16-29-26(34)23(31-24(32)14-18-4-8-20(28)9-5-18)13-17-6-10-22(11-7-17)38-39(35,36)37/h1-12,23H,13-16H2,(H,29,34)(H,30,33)(H,31,32)(H2,35,36,37)/t23-/m0/s1 | | Definition date: | 2022-04-27 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | [4-[(2~{S})-3-[[3-(2-chloranylethanoylamino)phenyl]methylamino]-2-[2-(4-fluorophenyl)ethanoylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate |
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