 | | V54 | | Name: | 7-{[3-({[(6-aminopyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine | | Formula: | C23 H23 N5 O | | SMILES: | c1(nc(ccc1)CNCc2cc(ccc2)OCc3cc4c(cc3)ccc(N)n4)N | | InChi: | InChI=1S/C23H23N5O/c24-22-6-2-4-19(27-22)14-26-13-16-3-1-5-20(11-16)29-15-17-7-8-18-9-10-23(25)28-21(18)12-17/h1-12,26H,13-15H2,(H2,24,27)(H2,25,28) | | Definition date: | 2020-06-26 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 7-{[3-({[(6-aminopyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine |
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 | | V57 | | Name: | 7-{[3-({[2-(pyridin-2-yl)ethyl]amino}methyl)phenoxy]methyl}quinolin-2-amine | | Formula: | C24 H24 N4 O | | SMILES: | c1(nc4c(cc1)ccc(COc3cccc(CNCCc2ccccn2)c3)c4)N | | InChi: | InChI=1S/C24H24N4O/c25-24-10-9-20-8-7-19(15-23(20)28-24)17-29-22-6-3-4-18(14-22)16-26-13-11-21-5-1-2-12-27-21/h1-10,12,14-15,26H,11,13,16-17H2,(H2,25,28) | | Definition date: | 2020-06-26 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 7-{[3-({[2-(pyridin-2-yl)ethyl]amino}methyl)phenoxy]methyl}quinolin-2-amine |
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 | | V5D | | Name: | 7-{[3-({[4-(6-aminopyridin-2-yl)butyl]amino}methyl)phenoxy]methyl}quinolin-2-amine | | Formula: | C26 H29 N5 O | | SMILES: | c1(N)cccc(n1)CCCCNCc2cc(ccc2)OCc4ccc3ccc(nc3c4)N | | InChi: | InChI=1S/C26H29N5O/c27-25-9-4-7-22(30-25)6-1-2-14-29-17-19-5-3-8-23(15-19)32-18-20-10-11-21-12-13-26(28)31-24(21)16-20/h3-5,7-13,15-16,29H,1-2,6,14,17-18H2,(H2,27,30)(H2,28,31) | | Definition date: | 2020-06-26 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 7-{[3-({[4-(6-aminopyridin-2-yl)butyl]amino}methyl)phenoxy]methyl}quinolin-2-amine |
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 | | V5G | | Name: | 7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine | | Formula: | C23 H22 N4 O | | SMILES: | c1(nc(ccc1)CCc2cccc(c2)OCc3cc4c(cc3)ccc(N)n4)N | | InChi: | InChI=1S/C23H22N4O/c24-22-6-2-4-19(26-22)11-8-16-3-1-5-20(13-16)28-15-17-7-9-18-10-12-23(25)27-21(18)14-17/h1-7,9-10,12-14H,8,11,15H2,(H2,24,26)(H2,25,27) | | Definition date: | 2020-06-26 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine |
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 | | YSG | | Name: | 5-[3-(3-chloro-5-propoxyphenyl)-2-oxo-2H-[1,3'-bipyridin]-5-yl]pyrimidine-2,4(1H,3H)-dione | | Formula: | C23 H19 Cl N4 O4 | | SMILES: | O=C1NC=C(C2=CN(c3cnccc3)C(=O)C(=C2)c2cc(OCCC)cc(Cl)c2)C(=O)N1 | | InChi: | InChI=1S/C23H19ClN4O4/c1-2-6-32-18-8-14(7-16(24)10-18)19-9-15(20-12-26-23(31)27-21(20)29)13-28(22(19)30)17-4-3-5-25-11-17/h3-5,7-13H,2,6H2,1H3,(H2,26,27,29,31) | | Definition date: | 2021-03-30 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 5-[3-(3-chloro-5-propoxyphenyl)-2-oxo-2H-[1,3'-bipyridin]-5-yl]pyrimidine-2,4(1H,3H)-dione |
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 | | YSJ | | Name: | 5-(3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione | | Formula: | C27 H17 Cl2 F N4 O4 | | SMILES: | Clc1ccccc1COc1cc(cc(Cl)c1F)C1=CC(=CN(c2cnccc2)C1=O)C1=CNC(=O)NC1=O | | InChi: | InChI=1S/C27H17Cl2FN4O4/c28-21-6-2-1-4-15(21)14-38-23-10-16(9-22(29)24(23)30)19-8-17(20-12-32-27(37)33-25(20)35)13-34(26(19)36)18-5-3-7-31-11-18/h1-13H,14H2,(H2,32,33,35,37) | | Definition date: | 2021-03-30 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 5-(3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione |
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 | | YSM | | Name: | 5-(3-{3-chloro-5-[(3-fluorophenyl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione | | Formula: | C27 H18 Cl F N4 O4 | | SMILES: | Fc1cccc(c1)COc1cc(cc(Cl)c1)C1=CC(=CN(c2cnccc2)C1=O)C1=CNC(=O)NC1=O | | InChi: | InChI=1S/C27H18ClFN4O4/c28-19-8-17(9-22(11-19)37-15-16-3-1-4-20(29)7-16)23-10-18(24-13-31-27(36)32-25(24)34)14-33(26(23)35)21-5-2-6-30-12-21/h1-14H,15H2,(H2,31,32,34,36) | | Definition date: | 2021-03-30 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 5-(3-{3-chloro-5-[(3-fluorophenyl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione |
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 | | YSP | | Name: | 5-(3-{3-chloro-5-[(2-methylphenyl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione | | Formula: | C28 H21 Cl N4 O4 | | SMILES: | Cc1ccccc1COc1cc(cc(Cl)c1)C1=CC(=CN(c2cnccc2)C1=O)C1=CNC(=O)NC1=O | | InChi: | InChI=1S/C28H21ClN4O4/c1-17-5-2-3-6-18(17)16-37-23-10-19(9-21(29)12-23)24-11-20(25-14-31-28(36)32-26(25)34)15-33(27(24)35)22-7-4-8-30-13-22/h2-15H,16H2,1H3,(H2,31,32,34,36) | | Definition date: | 2021-03-30 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 5-(3-{3-chloro-5-[(2-methylphenyl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione |
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 | | WZ7 | | Name: | 2-[(cyclopent-3-en-1-yl)amino]pyridine-4-carboxamide | | Formula: | C11 H13 N3 O | | SMILES: | c2cnc(NC1CC=CC1)cc2C(=O)N | | InChi: | InChI=1S/C11H13N3O/c12-11(15)8-5-6-13-10(7-8)14-9-3-1-2-4-9/h1-2,5-7,9H,3-4H2,(H2,12,15)(H,13,14) | | Definition date: | 2020-11-18 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 2-[(cyclopent-3-en-1-yl)amino]pyridine-4-carboxamide |
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 | | WZM | | Name: | 6-[cyclobutyl(methyl)amino]pyridazine-3-carboxamide | | Formula: | C10 H14 N4 O | | SMILES: | c1(ccc(nn1)N(C)C2CCC2)C(=O)N | | InChi: | InChI=1S/C10H14N4O/c1-14(7-3-2-4-7)9-6-5-8(10(11)15)12-13-9/h5-7H,2-4H2,1H3,(H2,11,15) | | Definition date: | 2020-11-19 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 6-[cyclobutyl(methyl)amino]pyridazine-3-carboxamide |
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 | | WZP | | Name: | 2-methyl-1-[4-(propan-2-yl)piperazin-1-yl]propan-1-one | | Formula: | C11 H22 N2 O | | SMILES: | C1CN(C(C(C)C)=O)CCN1C(C)C | | InChi: | InChI=1S/C11H22N2O/c1-9(2)11(14)13-7-5-12(6-8-13)10(3)4/h9-10H,5-8H2,1-4H3 | | Definition date: | 2020-11-19 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 2-methyl-1-[4-(propan-2-yl)piperazin-1-yl]propan-1-one |
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 | | WZS | | Name: | 1-{4-[(2-phenylethyl)amino]piperidin-1-yl}ethan-1-one | | Formula: | C15 H22 N2 O | | SMILES: | c2c(CCNC1CCN(C(C)=O)CC1)cccc2 | | InChi: | InChI=1S/C15H22N2O/c1-13(18)17-11-8-15(9-12-17)16-10-7-14-5-3-2-4-6-14/h2-6,15-16H,7-12H2,1H3 | | Definition date: | 2020-11-19 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 1-{4-[(2-phenylethyl)amino]piperidin-1-yl}ethan-1-one |
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 | | X0G | | Name: | 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine | | Formula: | C10 H15 N3 O2 | | SMILES: | C3N(Cc1nc(no1)C2CC2)CCOC3 | | InChi: | InChI=1S/C10H15N3O2/c1-2-8(1)10-11-9(15-12-10)7-13-3-5-14-6-4-13/h8H,1-7H2 | | Definition date: | 2020-11-19 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine |
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 | | JGW | | Name: | 2-methyl-3-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-3~{H}-quinolin-4-one | | Formula: | C24 H18 F3 N O2 | | SMILES: | CC1=Nc2ccccc2C(=O)[CH]1c3ccc(Cc4ccc(OC(F)(F)F)cc4)cc3 | | InChi: | InChI=1S/C24H18F3NO2/c1-15-22(23(29)20-4-2-3-5-21(20)28-15)18-10-6-16(7-11-18)14-17-8-12-19(13-9-17)30-24(25,26)27/h2-13,22H,14H2,1H3/t22-/m0/s1 | | Definition date: | 2019-02-25 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 2-methyl-3-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-3~{H}-quinolin-4-one |
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 | | JHB | | Name: | 7-chloranyl-3-methyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-1~{H}-quinolin-4-one | | Formula: | C24 H17 Cl F3 N O2 | | SMILES: | CC1=C(Nc2cc(Cl)ccc2C1=O)c3ccc(Cc4ccc(OC(F)(F)F)cc4)cc3 | | InChi: | InChI=1S/C24H17ClF3NO2/c1-14-22(29-21-13-18(25)8-11-20(21)23(14)30)17-6-2-15(3-7-17)12-16-4-9-19(10-5-16)31-24(26,27)28/h2-11,13H,12H2,1H3,(H,29,30) | | Definition date: | 2019-02-25 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 7-chloranyl-3-methyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-1~{H}-quinolin-4-one |
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 | | JHE | | Name: | 3-methyl-1-oxidanyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]quinolin-4-one | | Formula: | C24 H18 F3 N O3 | | SMILES: | CC1=C(N(O)c2ccccc2C1=O)c3ccc(Cc4ccc(OC(F)(F)F)cc4)cc3 | | InChi: | InChI=1S/C24H18F3NO3/c1-15-22(28(30)21-5-3-2-4-20(21)23(15)29)18-10-6-16(7-11-18)14-17-8-12-19(13-9-17)31-24(25,26)27/h2-13,30H,14H2,1H3 | | Definition date: | 2019-02-25 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 3-methyl-1-oxidanyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]quinolin-4-one |
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 | | QKE | | Name: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-chloranylfuran-2-yl)methyl]pyrrolidine-2-carboxamide | | Formula: | C19 H22 Cl N3 O3 | | SMILES: | N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3oc(Cl)cc3 | | InChi: | InChI=1S/C19H22ClN3O3/c20-17-9-8-14(26-17)12-22-18(24)16-7-4-10-23(16)19(25)15(21)11-13-5-2-1-3-6-13/h1-3,5-6,8-9,15-16H,4,7,10-12,21H2,(H,22,24)/t15-,16+/m1/s1 | | Definition date: | 2020-06-22 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-chloranylfuran-2-yl)methyl]pyrrolidine-2-carboxamide |
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 | | Q65 | | Name: | (1~{S},2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[4-[4-[(12~{R})-2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9-trien-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]-7-oxabicyclo[4.1.0]heptane-2,3,4-triol | | Formula: | C26 H37 B F2 N5 O4 | | SMILES: | C[CH]1CC(=C2[CH](CCCCc3cn(C[CH]4[CH](O)[CH](O)[CH](O)[CH]5O[CH]45)nn3)c6n(c(C)cc6C)[B](F)(F)N12)C | | InChi: | InChI=1S/C26H37BF2N5O4/c1-13-9-15(3)33-20(13)18(21-14(2)10-16(4)34(21)27(33,28)29)8-6-5-7-17-11-32(31-30-17)12-19-22(35)23(36)24(37)26-25(19)38-26/h9,11,16,18-19,22-26,35-37H,5-8,10,12H2,1-4H3/t16-,18+,19-,22-,23+,24-,25-,26+/m1/s1 | | Definition date: | 2020-05-20 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | (1~{S},2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[4-[4-[(12~{R})-2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9-trien-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]-7-oxabicyclo[4.1.0]heptane-2,3,4-triol |
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 | | CLA | | Name: | CHLOROPHYLL A | | Formula: | C55 H72 Mg N4 O5 | | SMILES: | O=C(OC)C1C(=O)C2=C(C)C3=CC=4C(CC)=C(C)C5=Cc6c(C=C)c(C)c7C=C8C(C)C(CCC(=O)OCC=C(/C)CCCC(C)CCCC(C)CCCC(C)C)C=9C1=C2N3[Mg](n76)(N5=4)N8=9 | | InChi: | InChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42 | | Definition date: | 1999-07-08 | | Last modified: | 2021-06-25 | | Identifier: | [methyl 9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}phorbine-21-carboxylatato(2-)-kappa~4~N~23~,N~24~,N~25~,N~26~]magnesium |
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 | | HKP | | Name: | (7R)-8-cyclopentyl-7-(cyclopentylmethyl)-2-[(3,5-dichloro-4-hydroxyphenyl)amino]-5-methyl-7,8-dihydropteridin-6(5H)-one | | Formula: | C24 H29 Cl2 N5 O2 | | SMILES: | c42c(N(C(C(CC1CCCC1)N2C3CCCC3)=O)C)cnc(n4)Nc5cc(Cl)c(c(c5)Cl)O | | InChi: | InChI=1S/C24H29Cl2N5O2/c1-30-20-13-27-24(28-15-11-17(25)21(32)18(26)12-15)29-22(20)31(16-8-4-5-9-16)19(23(30)33)10-14-6-2-3-7-14/h11-14,16,19,32H,2-10H2,1H3,(H,27,28,29)/t19-/m1/s1 | | Definition date: | 2018-07-10 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | (7R)-8-cyclopentyl-7-(cyclopentylmethyl)-2-[(3,5-dichloro-4-hydroxyphenyl)amino]-5-methyl-7,8-dihydropteridin-6(5H)-one |
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 | | HVO | | Name: | 1-[4-(3-tert-butyl-4-oxidanyl-phenoxy)phenyl]ethanone | | Formula: | C18 H20 O3 | | SMILES: | CC(=O)c1ccc(Oc2ccc(O)c(c2)C(C)(C)C)cc1 | | InChi: | InChI=1S/C18H20O3/c1-12(19)13-5-7-14(8-6-13)21-15-9-10-17(20)16(11-15)18(2,3)4/h5-11,20H,1-4H3 | | Synonyms: | 1-[4-(3-tert-Butyl-4-hydroxyphenoxy)phenyl]ethan-1-one | | Definition date: | 2021-02-10 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 1-[4-(3-~{tert}-butyl-4-oxidanyl-phenoxy)phenyl]ethanone |
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 | | HZL | | Name: | [(2S)-3-[2-[(E)-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]ethoxy-oxidanyl-phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] (Z)-octadec-9-enoate | | Formula: | C61 H104 N O8 P | | SMILES: | CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C)OC(=O)CCCCCCCC=CCCCCCCCC | | InChi: | InChI=1S/C61H104NO8P/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43-59(63)67-52-57(70-60(64)44-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-2)53-69-71(65,66)68-51-50-62-49-47-55(4)41-38-40-54(3)45-46-58-56(5)42-39-48-61(58,6)7/h22-25,38,40-41,45-47,49,57H,8-21,26-37,39,42-44,48,50-53H2,1-7H3,(H,65,66)/b24-22-,25-23-,41-38+,46-45+,54-40+,55-47+,62-49+/t57-/m0/s1 | | Definition date: | 2021-03-03 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | [(2~{S})-3-[2-[(~{E})-[(2~{E},4~{E},6~{E},8~{E})-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]ethoxy-oxidanyl-phosphoryl]oxy-2-[(~{Z})-octadec-9-enoyl]oxy-propyl] (~{Z})-octadec-9-enoate |
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 | | 7RC | | Name: | (2R)-4-(3-phosphonopropyl)piperazine-2-carboxylic acid | | Formula: | C8 H17 N2 O5 P | | SMILES: | OC(=O)[CH]1CN(CCC[P](O)(O)=O)CCN1 | | InChi: | InChI=1S/C8H17N2O5P/c11-8(12)7-6-10(4-2-9-7)3-1-5-16(13,14)15/h7,9H,1-6H2,(H,11,12)(H2,13,14,15)/t7-/m1/s1 | | Definition date: | 2021-04-23 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | (2~{R})-4-(3-phosphonopropyl)piperazine-2-carboxylic acid |
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 | | 97Q | | Name: | 2,8-bis(trifluoromethyl)quinolin-4-ol | | Formula: | C11 H5 F6 N O | | SMILES: | Oc1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F | | InChi: | InChI=1S/C11H5F6NO/c12-10(13,14)6-3-1-2-5-7(19)4-8(11(15,16)17)18-9(5)6/h1-4H,(H,18,19) | | Definition date: | 2017-04-27 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 2,8-bis(trifluoromethyl)quinolin-4-ol |
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 | | 97W | | Name: | 7-(trifluoromethyl)quinolin-4-ol | | Formula: | C10 H6 F3 N O | | SMILES: | Oc1ccnc2cc(ccc12)C(F)(F)F | | InChi: | InChI=1S/C10H6F3NO/c11-10(12,13)6-1-2-7-8(5-6)14-4-3-9(7)15/h1-5H,(H,14,15) | | Definition date: | 2017-04-28 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 7-(trifluoromethyl)quinolin-4-ol |
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