 | | 7C5 | | Name: | 5'-O-(2-amino-4-oxo-1,4-dihydropteridine-6-carbonyl)adenosine | | Formula: | C17 H16 N10 O6 | | SMILES: | NC=4Nc5ncc(C(OCC3C(O)C(C(n2cnc1c2ncnc1N)O3)O)=O)nc5C(N=4)=O | | InChi: | InChI=1S/C17H16N10O6/c18-11-7-13(22-3-21-11)27(4-23-7)15-10(29)9(28)6(33-15)2-32-16(31)5-1-20-12-8(24-5)14(30)26-17(19)25-12/h1,3-4,6,9-10,15,28-29H,2H2,(H2,18,21,22)(H3,19,20,25,26,30)/t6-,9-,10-,15-/m1/s1 | | Definition date: | 2016-10-03 | | Last modified: | 2017-01-13 | | Release date: | 2017-01-18 | | Identifier: | 5'-O-(2-amino-4-oxo-1,4-dihydropteridine-6-carbonyl)adenosine |
|
 | | 7C6 | | Name: | (3S,3aS,9bS)-2-[(2H-1,3-benzodioxol-5-yl)sulfonyl]-3,5-dimethyl-1,2,3,3a,5,9b-hexahydro-4H-pyrrolo[3,4-c][1,6]naphthyridin-4-one | | Formula: | C19 H19 N3 O5 S | | SMILES: | CC3C2C(N(C)c1ccncc1C2CN3S(c4ccc5c(c4)OCO5)(=O)=O)=O | | InChi: | InChI=1S/C19H19N3O5S/c1-11-18-14(13-8-20-6-5-15(13)21(2)19(18)23)9-22(11)28(24,25)12-3-4-16-17(7-12)27-10-26-16/h3-8,11,14,18H,9-10H2,1-2H3/t11-,14+,18+/m0/s1 | | Definition date: | 2016-10-03 | | Last modified: | 2017-01-13 | | Release date: | 2017-01-18 | | Identifier: | (3S,3aS,9bS)-2-[(2H-1,3-benzodioxol-5-yl)sulfonyl]-3,5-dimethyl-1,2,3,3a,5,9b-hexahydro-4H-pyrrolo[3,4-c][1,6]naphthyridin-4-one |
|
 | | 7E3 | | Name: | 5-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}pentanoic acid | | Formula: | C29 H27 Cl O8 S | | SMILES: | C=1(C3CC(C(C=1c2ccc(cc2)OCCCCC(O)=O)O3)S(Oc4cccc(c4)Cl)(=O)=O)c5ccc(cc5)O | | InChi: | InChI=1S/C29H27ClO8S/c30-20-4-3-5-23(16-20)38-39(34,35)25-17-24-27(18-7-11-21(31)12-8-18)28(29(25)37-24)19-9-13-22(14-10-19)36-15-2-1-6-26(32)33/h3-5,7-14,16,24-25,29,31H,1-2,6,15,17H2,(H,32,33)/t24-,25+,29+/m0/s1 | | Definition date: | 2016-10-28 | | Last modified: | 2017-01-13 | | Release date: | 2017-01-18 | | Identifier: | 5-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}pentanoic acid |
|
 | | 7EE | | Name: | (14beta,17alpha)-21-(4-aminophenyl)-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol | | Formula: | C26 H29 N O2 | | SMILES: | c4c(cc3CCC5C1C(C)(C(CC1)(C#Cc2ccc(N)cc2)O)CCC5c3c4)O | | InChi: | InChI=1S/C26H29NO2/c1-25-13-11-22-21-9-7-20(28)16-18(21)4-8-23(22)24(25)12-15-26(25,29)14-10-17-2-5-19(27)6-3-17/h2-3,5-7,9,16,22-24,28-29H,4,8,11-13,15,27H2,1H3/t22-,23-,24+,25+,26+/m1/s1 | | Definition date: | 2016-10-14 | | Last modified: | 2017-01-13 | | Release date: | 2017-01-18 | | Identifier: | (14beta,17alpha)-21-(4-aminophenyl)-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol |
|
 | | 7EF | | Name: | 4-[2-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol | | Formula: | C19 H17 F3 N2 O2 | | SMILES: | Oc1c(ccc(c1)O)c2n(nc3c2cccc3C(F)(F)F)C[C@H]=C(C)C | | InChi: | InChI=1S/C19H17F3N2O2/c1-11(2)8-9-24-18(13-7-6-12(25)10-16(13)26)14-4-3-5-15(17(14)23-24)19(20,21)22/h3-8,10,25-26H,9H2,1-2H3 | | Definition date: | 2016-10-14 | | Last modified: | 2017-01-13 | | Release date: | 2017-01-18 | | Identifier: | 4-[2-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol |
|
 | | 7EG | | Name: | 2~3~-[(E)-(hydroxyimino)methyl][1~1~,2~1~:2~2~,3~1~-terphenyl]-1~4~,2~4~,3~4~-triol | | Formula: | C19 H15 N O4 | | SMILES: | Oc1ccc(cc1)c2c(c(O)ccc2c3ccc(cc3)O)C=NO | | InChi: | InChI=1S/C19H15NO4/c21-14-5-1-12(2-6-14)16-9-10-18(23)17(11-20-24)19(16)13-3-7-15(22)8-4-13/h1-11,21-24H/b20-11+ | | Definition date: | 2016-10-14 | | Last modified: | 2017-01-13 | | Release date: | 2017-01-18 | | Identifier: | 2~3~-[(E)-(hydroxyimino)methyl][1~1~,2~1~:2~2~,3~1~-terphenyl]-1~4~,2~4~,3~4~-triol |
|
 | | 7EH | | Name: | 3-methyl-6-phenyl-3H-imidazo[4,5-b]pyridin-2-amine | | Formula: | C13 H12 N4 | | SMILES: | Nc1nc2c(n1C)ncc(c2)c3ccccc3 | | InChi: | InChI=1S/C13H12N4/c1-17-12-11(16-13(17)14)7-10(8-15-12)9-5-3-2-4-6-9/h2-8H,1H3,(H2,14,16) | | Definition date: | 2016-10-14 | | Last modified: | 2017-01-13 | | Release date: | 2017-01-18 | | Identifier: | 3-methyl-6-phenyl-3H-imidazo[4,5-b]pyridin-2-amine |
|
 | | 7EM | | Name: | 4,4',4''-(thiene-2,3,5-triyl)triphenol | | Formula: | C22 H16 O3 S | | SMILES: | Oc4ccc(c1sc(c(c1)c2ccc(O)cc2)c3ccc(cc3)O)cc4 | | InChi: | InChI=1S/C22H16O3S/c23-17-7-1-14(2-8-17)20-13-21(15-3-9-18(24)10-4-15)26-22(20)16-5-11-19(25)12-6-16/h1-13,23-25H | | Definition date: | 2016-10-14 | | Last modified: | 2017-01-13 | | Release date: | 2017-01-18 | | Identifier: | 4,4',4''-(thiene-2,3,5-triyl)triphenol |
|
 | | 7EN | | Name: | (1S)-2,3-bis(2-chloro-4-hydroxyphenyl)-1H-1lambda~4~-thiophen-1-one | | Formula: | C16 H10 Cl2 O3 S | | SMILES: | Oc1ccc(c(c1)Cl)C=2S(C=CC=2c3c(Cl)cc(cc3)O)=O | | InChi: | InChI=1S/C16H10Cl2O3S/c17-14-7-9(19)1-3-11(14)12-5-6-22(21)16(12)13-4-2-10(20)8-15(13)18/h1-8,19-20H | | Definition date: | 2016-10-15 | | Last modified: | 2017-01-13 | | Release date: | 2017-01-18 | | Identifier: | (1S)-2,3-bis(2-chloro-4-hydroxyphenyl)-1H-1lambda~4~-thiophen-1-one |
|
 | | 7EO | | Name: | 2,5-bis(2-chloro-4-hydroxyphenyl)-1H-1lambda~4~-thiophen-1-one | | Formula: | C16 H10 Cl2 O3 S | | SMILES: | Oc1cc(Cl)c(cc1)C2=CC=C(S2=O)c3c(Cl)cc(O)cc3 | | InChi: | InChI=1S/C16H10Cl2O3S/c17-13-7-9(19)1-3-11(13)15-5-6-16(22(15)21)12-4-2-10(20)8-14(12)18/h1-8,19-20H | | Definition date: | 2016-10-15 | | Last modified: | 2017-01-13 | | Release date: | 2017-01-18 | | Identifier: | 2,5-bis(2-chloro-4-hydroxyphenyl)-1H-1lambda~4~-thiophen-1-one |
|
 | | 7EQ | | Name: | 2,5-bis(2-fluoro-4-hydroxyphenyl)-1H-1lambda~4~-thiophen-1-one | | Formula: | C16 H10 F2 O3 S | | SMILES: | Oc1ccc(c(c1)F)C=2S(C(=CC=2)c3c(F)cc(O)cc3)=O | | InChi: | InChI=1S/C16H10F2O3S/c17-13-7-9(19)1-3-11(13)15-5-6-16(22(15)21)12-4-2-10(20)8-14(12)18/h1-8,19-20H | | Definition date: | 2016-10-15 | | Last modified: | 2017-01-13 | | Release date: | 2017-01-18 | | Identifier: | 2,5-bis(2-fluoro-4-hydroxyphenyl)-1H-1lambda~4~-thiophen-1-one |
|
 | | 7ER | | Name: | 3,4-bis(2-fluoro-4-hydroxyphenyl)-1H-1lambda~6~-thiophene-1,1-dione | | Formula: | C16 H10 F2 O4 S | | SMILES: | Fc1cc(O)ccc1C2=CS(=O)(=O)C=C2c3c(cc(O)cc3)F | | InChi: | InChI=1S/C16H10F2O4S/c17-15-5-9(19)1-3-11(15)13-7-23(21,22)8-14(13)12-4-2-10(20)6-16(12)18/h1-8,19-20H | | Definition date: | 2016-10-15 | | Last modified: | 2017-01-13 | | Release date: | 2017-01-18 | | Identifier: | 3,4-bis(2-fluoro-4-hydroxyphenyl)-1H-1lambda~6~-thiophene-1,1-dione |
|
 | | 7ES | | Name: | 4,4'-(thiene-2,3-diyl)bis(3-fluorophenol) | | Formula: | C16 H10 F2 O2 S | | SMILES: | Oc1cc(F)c(cc1)c3c(c2ccc(cc2F)O)ccs3 | | InChi: | InChI=1S/C16H10F2O2S/c17-14-7-9(19)1-3-11(14)12-5-6-21-16(12)13-4-2-10(20)8-15(13)18/h1-8,19-20H | | Definition date: | 2016-10-15 | | Last modified: | 2017-01-13 | | Release date: | 2017-01-18 | | Identifier: | 4,4'-(thiene-2,3-diyl)bis(3-fluorophenol) |
|
 | | 7ET | | Name: | 3-fluorophenyl (1S,2R,4S)-5-(4-hydroxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate | | Formula: | C31 H32 F N O6 S | | SMILES: | c1(O)ccc(cc1)C4=C(c3ccc(OCCN2CCCCC2)cc3)C5OC4CC5S(=O)(Oc6cc(ccc6)F)=O | | InChi: | InChI=1S/C31H32FNO6S/c32-23-5-4-6-26(19-23)39-40(35,36)28-20-27-29(21-7-11-24(34)12-8-21)30(31(28)38-27)22-9-13-25(14-10-22)37-18-17-33-15-2-1-3-16-33/h4-14,19,27-28,31,34H,1-3,15-18,20H2/t27-,28+,31+/m0/s1 | | Definition date: | 2016-10-14 | | Last modified: | 2017-01-13 | | Release date: | 2017-01-18 | | Identifier: | 3-fluorophenyl (1S,2R,4S)-5-(4-hydroxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate |
|
 | | 7EV | | Name: | 5-{4-[(1S,4S,5R)-5-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}pentanoic acid | | Formula: | C29 H27 Br O8 S | | SMILES: | C=2(c1ccc(OCCCCC(=O)O)cc1)C4CC(C(C=2c3ccc(cc3)O)O4)S(Oc5ccc(Br)cc5)(=O)=O | | InChi: | InChI=1S/C29H27BrO8S/c30-20-8-14-23(15-9-20)38-39(34,35)25-17-24-27(28(29(25)37-24)19-4-10-21(31)11-5-19)18-6-12-22(13-7-18)36-16-2-1-3-26(32)33/h4-15,24-25,29,31H,1-3,16-17H2,(H,32,33)/t24-,25+,29+/m0/s1 | | Definition date: | 2016-10-17 | | Last modified: | 2017-01-13 | | Release date: | 2017-01-18 | | Identifier: | 5-{4-[(1S,4S,5R)-5-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}pentanoic acid |
|
 | | 7EY | | Name: | 3-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoic acid | | Formula: | C16 H14 N2 O2 S2 | | SMILES: | Cc1ccc(cc1)c2csc3ncnc(SCCC(O)=O)c23 | | InChi: | InChI=1S/C16H14N2O2S2/c1-10-2-4-11(5-3-10)12-8-22-16-14(12)15(17-9-18-16)21-7-6-13(19)20/h2-5,8-9H,6-7H2,1H3,(H,19,20) | | Definition date: | 2016-10-18 | | Last modified: | 2017-01-13 | | Release date: | 2017-01-18 | | Identifier: | 3-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoic acid |
|
 | | 7FC | | Name: | 4-[6,8-bis(chloranyl)-3-oxidanyl-4-oxidanylidene-chromen-2-yl]benzoic acid | | Formula: | C16 H8 Cl2 O5 | | SMILES: | OC(=O)c1ccc(cc1)C2=C(O)C(=O)c3cc(Cl)cc(Cl)c3O2 | | InChi: | InChI=1S/C16H8Cl2O5/c17-9-5-10-12(19)13(20)14(23-15(10)11(18)6-9)7-1-3-8(4-2-7)16(21)22/h1-6,20H,(H,21,22) | | Definition date: | 2016-10-18 | | Last modified: | 2017-01-13 | | Release date: | 2017-01-18 | | Identifier: | 4-[6,8-bis(chloranyl)-3-oxidanyl-4-oxidanylidene-chromen-2-yl]benzoic acid |
|
 | | 7FD | | Name: | ethyl 3-{4-[cyclohexylidene(4-hydroxyphenyl)methyl]phenyl}prop-2-enoate | | Formula: | C24 H26 O3 | | SMILES: | Oc1ccc(cc1)C(=C2/CCCCC2)c3ccc([C@H]=CC(=O)OCC)cc3 | | InChi: | InChI=1S/C24H26O3/c1-2-27-23(26)17-10-18-8-11-20(12-9-18)24(19-6-4-3-5-7-19)21-13-15-22(25)16-14-21/h8-17,25H,2-7H2,1H3 | | Definition date: | 2016-10-18 | | Last modified: | 2017-01-13 | | Release date: | 2017-01-18 | | Identifier: | ethyl 3-{4-[cyclohexylidene(4-hydroxyphenyl)methyl]phenyl}prop-2-enoate |
|
 | | 7FG | | Name: | ethyl 3-(4-{[(1s,5s)-bicyclo[3.3.1]nonan-9-ylidene](4-hydroxyphenyl)methyl}phenyl)prop-2-enoate | | Formula: | C27 H30 O3 | | SMILES: | C1CCC2CCCC1C/2=C(/c3ccc(C=CC(OCC)=O)cc3)c4ccc(cc4)O | | InChi: | InChI=1S/C27H30O3/c1-2-30-25(29)18-11-19-9-12-22(13-10-19)27(23-14-16-24(28)17-15-23)26-20-5-3-6-21(26)8-4-7-20/h9-18,20-21,28H,2-8H2,1H3/t20-,21+ | | Definition date: | 2016-10-18 | | Last modified: | 2017-01-13 | | Release date: | 2017-01-18 | | Identifier: | ethyl 3-(4-{[(1s,5s)-bicyclo[3.3.1]nonan-9-ylidene](4-hydroxyphenyl)methyl}phenyl)prop-2-enoate |
|
 | | 7FJ | | Name: | 4,4'-[(1,3-dihydro-2H-inden-2-ylidene)methylene]diphenol | | Formula: | C22 H18 O2 | | SMILES: | C1/C(Cc2c1cccc2)=C(/c3ccc(cc3)O)c4ccc(cc4)O | | InChi: | InChI=1S/C22H18O2/c23-20-9-5-15(6-10-20)22(16-7-11-21(24)12-8-16)19-13-17-3-1-2-4-18(17)14-19/h1-12,23-24H,13-14H2 | | Definition date: | 2016-10-18 | | Last modified: | 2017-01-13 | | Release date: | 2017-01-18 | | Identifier: | 4,4'-[(1,3-dihydro-2H-inden-2-ylidene)methylene]diphenol |
|
 | | 7FL | | Name: | 4,4'-(cycloheptylidenemethylene)diphenol | | Formula: | C20 H22 O2 | | SMILES: | Oc1ccc(cc1)C(=C2CCCCCC2)c3ccc(O)cc3 | | InChi: | InChI=1S/C20H22O2/c21-18-11-7-16(8-12-18)20(15-5-3-1-2-4-6-15)17-9-13-19(22)14-10-17/h7-14,21-22H,1-6H2 | | Definition date: | 2016-10-18 | | Last modified: | 2017-01-13 | | Release date: | 2017-01-18 | | Identifier: | 4,4'-(cycloheptylidenemethylene)diphenol |
|
 | | 7FO | | Name: | 4-iodophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate | | Formula: | C24 H19 I O6 S | | SMILES: | C2(=C(c1ccc(O)cc1)C3C(CC2O3)S(Oc4ccc(I)cc4)(=O)=O)c5ccc(cc5)O | | InChi: | InChI=1S/C24H19IO6S/c25-16-5-11-19(12-6-16)31-32(28,29)21-13-20-22(14-1-7-17(26)8-2-14)23(24(21)30-20)15-3-9-18(27)10-4-15/h1-12,20-21,24,26-27H,13H2/t20-,21+,24+/m0/s1 | | Definition date: | 2016-10-18 | | Last modified: | 2017-01-13 | | Release date: | 2017-01-18 | | Identifier: | 4-iodophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate |
|
 | | 7FP | | Name: | 4-(acetylamino)phenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate | | Formula: | C26 H23 N O7 S | | SMILES: | C1(=C(C2C(CC1O2)S(Oc3ccc(NC(=O)C)cc3)(=O)=O)c4ccc(cc4)O)c5ccc(cc5)O | | InChi: | InChI=1S/C26H23NO7S/c1-15(28)27-18-6-12-21(13-7-18)34-35(31,32)23-14-22-24(16-2-8-19(29)9-3-16)25(26(23)33-22)17-4-10-20(30)11-5-17/h2-13,22-23,26,29-30H,14H2,1H3,(H,27,28)/t22-,23+,26+/m0/s1 | | Definition date: | 2016-10-18 | | Last modified: | 2017-01-13 | | Release date: | 2017-01-18 | | Identifier: | 4-(acetylamino)phenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate |
|
 | | 7FQ | | Name: | (9beta,13alpha,14beta,16alpha,17alpha)-16-[(4-methoxyphenyl)methyl]estra-1,3,5(10)-triene-3,17-diol | | Formula: | C26 H32 O3 | | SMILES: | c1cc2c(cc1O)CCC3C2CCC4(C3CC(C4O)Cc5ccc(cc5)OC)C | | InChi: | InChI=1S/C26H32O3/c1-26-12-11-22-21-10-6-19(27)14-17(21)5-9-23(22)24(26)15-18(25(26)28)13-16-3-7-20(29-2)8-4-16/h3-4,6-8,10,14,18,22-25,27-28H,5,9,11-13,15H2,1-2H3/t18-,22+,23+,24-,25-,26-/m0/s1 | | Definition date: | 2016-10-18 | | Last modified: | 2017-01-13 | | Release date: | 2017-01-18 | | Identifier: | (9beta,13alpha,14beta,16alpha,17alpha)-16-[(4-methoxyphenyl)methyl]estra-1,3,5(10)-triene-3,17-diol |
|
 | | 7FR | | Name: | (9beta,13alpha,17Z)-17-{[4-(propan-2-yl)phenyl]imino}estra-1,3,5(10)-trien-3-ol | | Formula: | C27 H33 N O | | SMILES: | c1cc3c(cc1O)CCC4C2CCC(C2(C)CCC34)=Nc5ccc(cc5)C(C)C | | InChi: | InChI=1S/C27H33NO/c1-17(2)18-4-7-20(8-5-18)28-26-13-12-25-24-10-6-19-16-21(29)9-11-22(19)23(24)14-15-27(25,26)3/h4-5,7-9,11,16-17,23-25,29H,6,10,12-15H2,1-3H3/b28-26-/t23-,24-,25+,27+/m1/s1 | | Definition date: | 2016-10-18 | | Last modified: | 2017-01-13 | | Release date: | 2017-01-18 | | Identifier: | (9beta,13alpha,17Z)-17-{[4-(propan-2-yl)phenyl]imino}estra-1,3,5(10)-trien-3-ol |
|
