 | | 7DZ | | Name: | (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one | | Formula: | C19 H23 F2 N5 O2 | | SMILES: | CN3c1c(nc(nc1)Nc2cc(c(c(c2)F)O)F)N(CCC(C)C)C(C3=O)C | | InChi: | InChI=1S/C19H23F2N5O2/c1-10(2)5-6-26-11(3)18(28)25(4)15-9-22-19(24-17(15)26)23-12-7-13(20)16(27)14(21)8-12/h7-11,27H,5-6H2,1-4H3,(H,22,23,24)/t11-/m0/s1 | | Synonyms: | BI-D1870 | | Definition date: | 2016-10-13 | | Last modified: | 2020-06-17 | | Release date: | 2016-11-02 | | Identifier: | (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one |
|
 | | 7E0 | | Name: | trichothecene | | Formula: | C15 H22 O2 | | SMILES: | CC1=CC2OC3CCC(C2(CC1)C)(C34CO4)C | | InChi: | InChI=1S/C15H22O2/c1-10-4-6-13(2)12(8-10)17-11-5-7-14(13,3)15(11)9-16-15/h8,11-12H,4-7,9H2,1-3H3/t11-,12-,13+,14-,15+/m1/s1 | | Synonyms: | (11beta)-12,13-epoxytrichothec-9-ene | | Definition date: | 2016-10-13 | | Last modified: | 2020-06-17 | | Release date: | 2016-11-02 | | Identifier: | (11beta)-12,13-epoxytrichothec-9-ene |
|
 | | 7E8 | | Name: | (2R)-2,3-DIHYDROXYPROPYL (7Z)-TETRADEC-7-ENOATE | | Formula: | C17 H32 O4 | | SMILES: | O=C(OCC(O)CO)CCCCCC=C/CCCCCC | | InChi: | InChI=1S/C17H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-15-16(19)14-18/h7-8,16,18-19H,2-6,9-15H2,1H3/b8-7-/t16-/m1/s1 | | Synonyms: | 7.7 MAG | | Definition date: | 2011-03-31 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate |
|
 | | HS6 | | Name: | 2-[(4-fluorophenyl)sulfonylamino]-N-oxo-ethanamide | | Formula: | C8 H7 F N2 O4 S | | SMILES: | O=S(=O)(c1ccc(F)cc1)NCC(=O)N=O | | InChi: | InChI=1S/C8H7FN2O4S/c9-6-1-3-7(4-2-6)16(14,15)10-5-8(12)11-13/h1-4,10H,5H2 | | Synonyms: | 4-fluoro-N-(2-nitroso-2-oxoethyl)benzenesulfonamide | | Definition date: | 2008-11-04 | | Last modified: | 2020-06-17 | | Identifier: | N~2~-[(4-fluorophenyl)sulfonyl]-N-oxoglycinamide |
|
 | | HS7 | | Name: | N-oxo-2-(phenylsulfonylamino)ethanamide | | Formula: | C8 H8 N2 O4 S | | SMILES: | O=S(=O)(NCC(=O)N=O)c1ccccc1 | | InChi: | InChI=1S/C8H8N2O4S/c11-8(10-12)6-9-15(13,14)7-4-2-1-3-5-7/h1-5,9H,6H2 | | Synonyms: | N-(2-nitroso-2-oxoethyl)benzenesulfonamide | | Definition date: | 2008-11-04 | | Last modified: | 2020-06-17 | | Identifier: | N-oxo-N~2~-(phenylsulfonyl)glycinamide |
|
 | | HSS | | Name: | 5'-O-[(L-HISTIDYLAMINO)SULFONYL]ADENOSINE | | Formula: | C16 H21 N9 O7 S | | SMILES: | O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)Cc4cncn4 | | InChi: | InChI=1S/C16H21N9O7S/c17-8(1-7-2-19-4-20-7)15(28)24-33(29,30)31-3-9-11(26)12(27)16(32-9)25-6-23-10-13(18)21-5-22-14(10)25/h2,4-6,8-9,11-12,16,26-27H,1,3,17H2,(H,19,20)(H,24,28)(H2,18,21,22)/t8-,9+,11+,12+,16+/m0/s1 | | Synonyms: | 5'-O-[N-(L-HISTIDYL)SULFAMOYL]ADENOSINE | | Definition date: | 2007-05-25 | | Last modified: | 2020-06-17 | | Identifier: | 5'-O-(L-histidylsulfamoyl)adenosine |
|
 | | HT | | Name: | 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE | | Formula: | C25 H24 N6 O | | SMILES: | Oc1ccc(cc1)c3nc2ccc(cc2n3)c5nc4ccc(cc4n5)N6CCN(C)CC6 | | InChi: | InChI=1S/C25H24N6O/c1-30-10-12-31(13-11-30)18-5-9-21-23(15-18)29-25(27-21)17-4-8-20-22(14-17)28-24(26-20)16-2-6-19(32)7-3-16/h2-9,14-15,32H,10-13H2,1H3,(H,26,28)(H,27,29) | | Synonyms: | HOECHST 33258 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 4-[6-(4-methylpiperazin-1-yl)-1H,3'H-2,5'-bibenzimidazol-2'-yl]phenol |
|
 | | HT2 | | Name: | 5-AMIDINO-2-[2-(4-AMIDINOPHENYL)-5-BENZIMIDAZOLYL]BENZIMIDAZOLE | | Formula: | C22 H18 N8 | | SMILES: | [N@H]=C(N)c1ccc(cc1)c5nc4ccc(c3nc2ccc(cc2n3)C(=[N@H])N)cc4n5 | | InChi: | InChI=1S/C22H18N8/c23-19(24)11-1-3-12(4-2-11)21-27-16-8-6-14(10-18(16)29-21)22-28-15-7-5-13(20(25)26)9-17(15)30-22/h1-10H,(H3,23,24)(H3,25,26)(H,27,29)(H,28,30) | | Synonyms: | BIS-AMIDINIUM DERIVATIVE OF HOECHST 33258 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 2'-(4-carbamimidoylphenyl)-1H,3'H-2,5'-bibenzimidazole-6-carboximidamide |
|
 | | HTF | | Name: | N-(2-OXOTETRAHYDROFURAN-3-YL)OCTANAMIDE | | Formula: | C12 H21 N O3 | | SMILES: | O=C1OCCC1NC(=O)CCCCCCC | | InChi: | InChI=1S/C12H21NO3/c1-2-3-4-5-6-7-11(14)13-10-8-9-16-12(10)15/h10H,2-9H2,1H3,(H,13,14)/t10-/m0/s1 | | Synonyms: | N-OCTANOYL-L-HOMOSERINE LACTONE | | Definition date: | 2005-09-14 | | Last modified: | 2020-06-17 | | Identifier: | N-[(3S)-2-oxotetrahydrofuran-3-yl]octanamide |
|
 | | HTL | | Name: | 2-ACETYL-THIAMINE DIPHOSPHATE | | Formula: | C14 H21 N4 O8 P2 S | | SMILES: | O=C(c1sc(c([n+]1Cc2cnc(nc2N)C)C)CCOP(=O)(O)OP(=O)(O)O)C | | InChi: | InChI=1S/C14H20N4O8P2S/c1-8-12(4-5-25-28(23,24)26-27(20,21)22)29-14(9(2)19)18(8)7-11-6-16-10(3)17-13(11)15/h6H,4-5,7H2,1-3H3,(H4-,15,16,17,20,21,22,23,24)/p+1 | | Synonyms: | 2-ACETYL-3-[(4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL]-4-METHYL-5-(4,6,6-TRIHYDROXY-3,5-DIOXA-4,6-DIPHOSPHAHEX-1-YL)THIAZO
LIUM INNER SALT P,P'-DIOXIDE | | Definition date: | 2001-11-26 | | Last modified: | 2020-06-17 | | Identifier: | 2-acetyl-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium |
|
 | | HUL | | Name: | 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one | | Formula: | C16 H12 O6 | | SMILES: | O=C1c3c(O)c(OC)c(O)cc3OC(=C1)c2ccc(O)cc2 | | InChi: | InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3 | | Synonyms: | Hispidulin | | Definition date: | 2015-01-08 | | Last modified: | 2020-06-17 | | Release date: | 2015-08-26 | | Identifier: | 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one |
|
 | | HVG | | Name: | 4-[(S)-amino(carboxy)methyl]benzene-1,2-dicarboxylic acid | | Formula: | C10 H9 N O6 | | SMILES: | C(=O)(O)c1ccc(cc1C(O)=O)C(C(O)=O)N | | InChi: | InChI=1S/C10H9NO6/c11-7(10(16)17)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3,7H,11H2,(H,12,13)(H,14,15)(H,16,17)/t7-/m0/s1 | | Synonyms: | (S)-3,4-Dicarboxyphenylglycine (DCPG) | | Definition date: | 2018-07-24 | | Last modified: | 2020-06-17 | | Release date: | 2018-11-07 | | Identifier: | 4-[(S)-amino(carboxy)methyl]benzene-1,2-dicarboxylic acid |
|
 | | HWD | | Name: | 2-AMINO-3-(2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID | | Formula: | C7 H9 N3 O4 | | SMILES: | O=C(O)C(N)CN1C=CC(=O)NC1=O | | InChi: | InChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-2-1-5(11)9-7(10)14/h1-2,4H,3,8H2,(H,12,13)(H,9,11,14)/t4-/m0/s1 | | Synonyms: | WILLARDIINE | | Definition date: | 2002-09-20 | | Last modified: | 2020-06-17 | | Identifier: | 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine |
|
 | | 7JG | | Name: | 5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one | | Formula: | C20 H12 F2 N2 O2 | | SMILES: | Oc1cc(c2ccc(F)cc2)c(c3ccc(F)cc3)c4C(=O)NC=Nc14 | | InChi: | InChI=1S/C20H12F2N2O2/c21-13-5-1-11(2-6-13)15-9-16(25)19-18(20(26)24-10-23-19)17(15)12-3-7-14(22)8-4-12/h1-10,25H,(H,23,24,26) | | Synonyms: | 5,6-bis(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one | | Definition date: | 2016-11-02 | | Last modified: | 2020-06-17 | | Release date: | 2017-11-22 | | Identifier: | 5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one |
|
 | | 7JJ | | Name: | 5-chloranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one | | Formula: | C14 H8 Cl F N2 O2 | | SMILES: | Oc1cc(c(Cl)c2C(=O)NC=Nc12)c3ccc(F)cc3 | | InChi: | InChI=1S/C14H8ClFN2O2/c15-12-9(7-1-3-8(16)4-2-7)5-10(19)13-11(12)14(20)18-6-17-13/h1-6,19H,(H,17,18,20) | | Synonyms: | 5-chloro-6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one | | Definition date: | 2016-11-02 | | Last modified: | 2020-06-17 | | Release date: | 2017-11-22 | | Identifier: | 5-chloranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one |
|
 | | 7JK | | Name: | 6-[3-methyl-5-(4-methylpiperazin-1-yl)carbonyl-thiophen-2-yl]-8-oxidanyl-3~{H}-quinazolin-4-one | | Formula: | C19 H20 N4 O3 S | | SMILES: | CN1CCN(CC1)C(=O)c2sc(c(C)c2)c3cc(O)c4N=CNC(=O)c4c3 | | InChi: | InChI=1S/C19H20N4O3S/c1-11-7-15(19(26)23-5-3-22(2)4-6-23)27-17(11)12-8-13-16(14(24)9-12)20-10-21-18(13)25/h7-10,24H,3-6H2,1-2H3,(H,20,21,25) | | Synonyms: | 8-hydroxy-6-[3-methyl-5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl]-3H-quinazolin-4-one | | Definition date: | 2016-11-02 | | Last modified: | 2020-06-17 | | Release date: | 2017-11-22 | | Identifier: | 6-[3-methyl-5-(4-methylpiperazin-1-yl)carbonyl-thiophen-2-yl]-8-oxidanyl-3~{H}-quinazolin-4-one |
|
 | | 7JL | | Name: | 6-bromanyl-8-oxidanyl-3~{H}-quinazolin-4-one | | Formula: | C8 H5 Br N2 O2 | | SMILES: | Oc1cc(Br)cc2C(=O)NC=Nc12 | | InChi: | InChI=1S/C8H5BrN2O2/c9-4-1-5-7(6(12)2-4)10-3-11-8(5)13/h1-3,12H,(H,10,11,13) | | Synonyms: | 6-bromo-8-hydroxy-3H-quinazolin-4-one | | Definition date: | 2016-11-02 | | Last modified: | 2020-06-17 | | Release date: | 2017-11-22 | | Identifier: | 6-bromanyl-8-oxidanyl-3~{H}-quinazolin-4-one |
|
 | | 7JP | | Name: | 6-(4-fluorophenyl)-8-oxidanyl-3-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl)quinazolin-4-one | | Formula: | C26 H23 F N4 O2 | | SMILES: | Oc1cc(cc2C(=O)N(CCCCCn3ccc4cnccc34)C=Nc12)c5ccc(F)cc5 | | InChi: | InChI=1S/C26H23FN4O2/c27-21-6-4-18(5-7-21)20-14-22-25(24(32)15-20)29-17-31(26(22)33)12-3-1-2-11-30-13-9-19-16-28-10-8-23(19)30/h4-10,13-17,32H,1-3,11-12H2 | | Synonyms: | 6-(4-fluorophenyl)-8-hydroxy-3-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl)quinazolin-4-one | | Definition date: | 2016-11-02 | | Last modified: | 2020-06-17 | | Release date: | 2017-11-22 | | Identifier: | 6-(4-fluorophenyl)-8-oxidanyl-3-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl)quinazolin-4-one |
|
 | | 7JR | | Name: | 1-methyl-3-oxidanyl-5-phenyl-pyridin-2-one | | Formula: | C12 H11 N O2 | | SMILES: | CN1C=C(C=C(O)C1=O)c2ccccc2 | | InChi: | InChI=1S/C12H11NO2/c1-13-8-10(7-11(14)12(13)15)9-5-3-2-4-6-9/h2-8,14H,1H3 | | Synonyms: | 3-hydroxy-1-methyl-5-phenylpyridin-2-one | | Definition date: | 2016-11-02 | | Last modified: | 2020-06-17 | | Release date: | 2017-11-22 | | Identifier: | 1-methyl-3-oxidanyl-5-phenyl-pyridin-2-one |
|
 | | HXL | | Name: | 2-(4-(4-CARBAMIMIDOYLPHENOXY)PHENYL)-1H-BENZO[D]IMIDAZOLE-6-CARBOXIMIDAMIDE | | Formula: | C21 H18 N6 O | | SMILES: | [N@H]=C(N)c4ccc(Oc3ccc(c2nc1cc(ccc1n2)C(=[N@H])N)cc3)cc4 | | InChi: | InChI=1S/C21H18N6O/c22-19(23)12-1-6-15(7-2-12)28-16-8-3-13(4-9-16)21-26-17-10-5-14(20(24)25)11-18(17)27-21/h1-11H,(H3,22,23)(H3,24,25)(H,26,27) | | Synonyms: | 2-(4-{4-[AMINO(IMINO)METHYL]PHENOXY}PHENYL)-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE | | Definition date: | 2006-01-11 | | Last modified: | 2020-06-17 | | Identifier: | 2-[4-(4-carbamimidoylphenoxy)phenyl]-1H-benzimidazole-5-carboximidamide |
|
 | | HXX | | Name: | 3,6-dichloro-2-hydroxybenzoic acid | | Formula: | C7 H4 Cl2 O3 | | SMILES: | Clc1ccc(Cl)c(C(=O)O)c1O | | InChi: | InChI=1S/C7H4Cl2O3/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2,10H,(H,11,12) | | Synonyms: | 3,6 dichlorosalicylic acid | | Definition date: | 2009-03-13 | | Last modified: | 2020-06-17 | | Identifier: | 3,6-dichloro-2-hydroxybenzoic acid |
|
 | | HY0 | | Name: | HYGROMYCIN B VARIANT | | Formula: | C20 H37 N3 O13 | | SMILES: | O1C4C(OC12OC(C(O)C(O)C2O)C(N)CO)C(O)C(OC4OC3C(O)C(N)CC(NC)C3O)CO | | InChi: | InChI=1S/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3/t5-,6+,7+,8-,9+,10-,11+,12-,13+,14-,15-,16+,17+,18-,19+,20-/m1/s1 | | Synonyms: | (2R,3'R,3aS,4S,4'S,5'R,6R,6'R,7S,7aS)-4-[(1R,2S,3R,5S,6R)-3-azanyl-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy-6'-[(1S)
-1-azanyl-2-hydroxy-ethyl]-6-(hydroxymethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,2'-oxane]-3',4',5',
7-tetrol | | Definition date: | 2010-11-08 | | Last modified: | 2020-06-17 | | Identifier: | (2R,3'R,3aS,4S,4'S,5'R,6R,6'R,7S,7aS)-4-{[(1R,2S,3R,5S,6R)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy}-6'-[(1S)-1-amino-2-hydroxyethyl]-6-(hydroxymethyl)octahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-3',4',5',7-tetrol (non-preferred name) |
|
 | | 7KP | | Name: | (2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[3-[(~{E})-2-(4-hydroxyphenyl)ethenyl]-5-oxidanyl-phenoxy]oxane-3,4
,5-triol | | Formula: | C20 H22 O8 | | SMILES: | OC[CH]1O[CH](Oc2cc(O)cc(C=Cc3ccc(O)cc3)c2)[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+/t16-,17-,18+,19-,20+/m1/s1 | | Synonyms: | glycosylated resveratrol | | Definition date: | 2016-11-05 | | Last modified: | 2020-06-17 | | Release date: | 2017-12-20 | | Identifier: | (2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[3-[(~{E})-2-(4-hydroxyphenyl)ethenyl]-5-oxidanyl-phenoxy]oxane-3,4,5-triol |
|
 | | HYC | | Name: | O5'-[9-(3,17B-DIHYDROXY-1,3,5(10)-ESTRATRIEN-16B-YL)-NONANOYL]ADENOSINE | | Formula: | C37 H51 N5 O7 | | SMILES: | O=C(OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)CCCCCCCCC6CC5C7CCc4cc(O)ccc4C7CCC5(C)C6O | | InChi: | InChI=1S/C37H51N5O7/c1-37-15-14-25-24-13-11-23(43)16-21(24)10-12-26(25)27(37)17-22(33(37)47)8-6-4-2-3-5-7-9-29(44)48-18-28-31(45)32(46)36(49-28)42-20-41-30-34(38)39-19-40-35(30)42/h11,13,16,19-20,22,25-28,31-33,36,43,45-47H,2-10,12,14-15,17-18H2,1H3,(H2,38,39,40)/t22-,25+,26+,27-,28+,31+,32+,33-,36+,37-/m0/s1 | | Synonyms: | EM-1745 | | Definition date: | 2001-03-07 | | Last modified: | 2020-06-17 | | Identifier: | 5'-O-{9-[(9beta,13alpha,14beta,16alpha,17alpha)-3,17-dihydroxyestra-1,3,5(10)-trien-16-yl]nonanoyl}adenosine |
|
 | | HYN | | Name: | imidazolidine-2,4-dione | | Formula: | C3 H4 N2 O2 | | SMILES: | O=C1NC(=O)NC1 | | InChi: | InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7) | | Synonyms: | Hydantoin | | Definition date: | 2008-03-21 | | Last modified: | 2020-06-17 | | Identifier: | imidazolidine-2,4-dione |
|
