 | | ON7 | | Name: | {1-[(2S,3S)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-4-(methoxycarbonyl)-1
H-pyrrol-3-yl}acetic acid | | Formula: | C30 H35 N O7 | | SMILES: | O=C(c1c(cn(c1)CC(C(O)c2cc(OC)c(C)c(c2)OC)CC4Cc3ccccc3C4)CC(=O)O)OC | | InChi: | InChI=1S/C30H35NO7/c1-18-26(36-2)12-22(13-27(18)37-3)29(34)24(11-19-9-20-7-5-6-8-21(20)10-19)16-31-15-23(14-28(32)33)25(17-31)30(35)38-4/h5-8,12-13,15,17,19,24,29,34H,9-11,14,16H2,1-4H3,(H,32,33)/t24-,29+/m0/s1 | | Synonyms: | ONO9780307 | | Definition date: | 2015-03-31 | | Last modified: | 2020-06-17 | | Release date: | 2015-06-03 | | Identifier: | {1-[(2S,3S)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-4-(methoxycarbonyl)-1H-pyrrol-3-yl}acetic acid |
|
 | | LDC | | Name: | 4-AMINO-1-(2-DEOXY-BETA-L-ERYTHRO-PENTOFURANOSYL)PYRIMIDIN-2(1H)-ONE | | Formula: | C9 H13 N3 O4 | | SMILES: | O=C1N=C(N)C=CN1C2OC(C(O)C2)CO | | InChi: | InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m1/s1 | | Synonyms: | L-2'-DEOXYCYTIDINE | | Definition date: | 2006-10-26 | | Last modified: | 2020-06-17 | | Identifier: | 4-amino-1-(2-deoxy-beta-L-erythro-pentofuranosyl)pyrimidin-2(1H)-one |
|
 | | SAO | | Name: | 5'-S-[(3S)-3-azaniumyl-3-carboxypropyl]-5'-thioadenosine | | Formula: | C14 H21 N6 O5 S | | SMILES: | [NH3+]C(C(O)=O)CCSCC1OC(C(C1O)O)n2cnc3c2ncnc3N | | InChi: | InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/p+1/t6-,7+,9+,10+,13+/m0/s1 | | Synonyms: | S-ADENOSYL-L-HOMOCYSTEINE | | Definition date: | 2016-04-08 | | Last modified: | 2020-06-17 | | Release date: | 2017-03-15 | | Identifier: | 5'-S-[(3S)-3-azaniumyl-3-carboxypropyl]-5'-thioadenosine |
|
 | | P2G | | Name: | (2S,4R,6R,6AS)-4-(2-AMINO-6-OXO-1,6-DIHYDROPURIN-9-YL)-6-(HYDROXYMETHYL)-TETRAHYDROFURO[3,4-D][1,3]DIOXOL-2-YLPHOSPHONI
C ACID | | Formula: | C11 H14 N5 O8 P | | SMILES: | O=C4NC(=Nc1c4ncn1C3OC(C2OC(OC23)P(=O)(O)O)CO)N | | InChi: | InChI=1S/C11H14N5O8P/c12-10-14-7-4(8(18)15-10)13-2-16(7)9-6-5(3(1-17)22-9)23-11(24-6)25(19,20)21/h2-3,5-6,9,11,17H,1H2,(H2,19,20,21)(H3,12,14,15,18)/t3-,5-,6-,9-,11+/m1/s1 | | Synonyms: | GUANOSINE-2',3'-O-METHYLIDENEPHOSPHONATE | | Definition date: | 2005-08-04 | | Last modified: | 2020-06-17 | | Identifier: | 2',3'-O-(phosphonomethylidene)guanosine |
|
 | | ML0 | | Name: | 4-{2-amino-6-[(1R)-2,2,2-trifluoro-1-(3'-fluorobiphenyl-4-yl)ethoxy]pyrimidin-4-yl}-L-phenylalanine | | Formula: | C27 H22 F4 N4 O3 | | SMILES: | Fc1cccc(c1)c2ccc(cc2)C(Oc4nc(nc(c3ccc(cc3)CC(C(=O)O)N)c4)N)C(F)(F)F | | InChi: | InChI=1S/C27H22F4N4O3/c28-20-3-1-2-19(13-20)16-8-10-18(11-9-16)24(27(29,30)31)38-23-14-22(34-26(33)35-23)17-6-4-15(5-7-17)12-21(32)25(36)37/h1-11,13-14,21,24H,12,32H2,(H,36,37)(H2,33,34,35)/t21-,24+/m0/s1 | | Synonyms: | (S)-2-Amino-3-(4-{2-amino-6-[(S)-1-(3'-fluoro-biphenyl-4-yl)-ethoxy]-pyrimidin-4-yl}-phenyl)-propionic acid | | Definition date: | 2009-05-31 | | Last modified: | 2020-06-17 | | Identifier: | 4-{2-amino-6-[(1R)-2,2,2-trifluoro-1-(3'-fluorobiphenyl-4-yl)ethoxy]pyrimidin-4-yl}-L-phenylalanine |
|
 | | SAS | | Name: | 2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID | | Formula: | C18 H14 N4 O5 S | | SMILES: | O=S(=O)(Nc1ncccc1)c3ccc(/N=N/c2cc(C(=O)O)c(O)cc2)cc3 | | InChi: | InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)/b21-20+ | | Synonyms: | SULFASALAZINE | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 2-hydroxy-5-{(E)-[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl}benzoic acid |
|
 | | T64 | | Name: | (6-4)photoproduct | | Formula: | C20 H28 N4 O15 P2 | | SMILES: | OP(OCC5C3CC(N1C(=O)NC(=O)C(C1C4=NC(N(C2CC(O)C(O2)COP(O3)(=O)O)C=C4C)=O)(O)C)O5)(O)=O | | InChi: | InChI=1S/C20H28N4O15P2/c1-8-5-23-13-3-9(25)11(37-13)6-36-41(33,34)39-10-4-14(38-12(10)7-35-40(30,31)32)24-16(15(8)21-18(23)27)20(2,29)17(26)22-19(24)28/h5,9-14,16,25,29H,3-4,6-7H2,1-2H3,(H,33,34)(H,22,26,28)(H2,30,31,32)/t9-,10-,11+,12+,13+,14+,16-,20+/m0/s1 | | Synonyms: | [(2R,4S,5R,10S,11R,13R,18R,19S)-4,8,18-trihydroxy-18,24-dimethyl-8-oxido-15,17,22-trioxo-7,9,12,26-tetraoxa-1,14,16,21-
tetraaza-8-phosphapentacyclo[18.2.2.1~2,5~.1~10,13~.0~14,19~]hexacosa-20,23-dien-11-yl]methyl dihydrogen phosphate | | Definition date: | 2011-07-26 | | Last modified: | 2020-06-17 | | Release date: | 2015-12-02 | | Identifier: | [(2R,4S,5R,10S,11R,13R,18R,19S)-4,8,18-trihydroxy-18,24-dimethyl-8-oxido-15,17,22-trioxo-7,9,12,26-tetraoxa-1,14,16,21-tetraaza-8-phosphapentacyclo[18.2.2.1~2,5~.1~10,13~.0~14,19~]hexacosa-20,23-dien-11-yl]methyl dihydrogen phosphate (non-preferred name) |
|
 | | SAU | | Name: | 13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium | | Formula: | C20 H14 N O4 | | SMILES: | O1c3c(OC1)c2c[n+](c5c(c2cc3)ccc6cc4OCOc4cc56)C | | InChi: | InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1 | | Synonyms: | Sanguinarine | | Definition date: | 2010-07-25 | | Last modified: | 2020-06-17 | | Identifier: | 13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium |
|
 | | O7Z | | Name: | 2-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3~{H}-inden-5-yl]oxy]ethanoic acid | | Formula: | C17 H18 Cl2 O4 | | SMILES: | CC1(Cc2cc(OCC(O)=O)c(Cl)c(Cl)c2C1=O)C3CCCC3 | | InChi: | InChI=1S/C17H18Cl2O4/c1-17(10-4-2-3-5-10)7-9-6-11(23-8-12(20)21)14(18)15(19)13(9)16(17)22/h6,10H,2-5,7-8H2,1H3,(H,20,21) | | Synonyms: | indanyloxyacetic acid-94 | | Definition date: | 2020-02-19 | | Last modified: | 2020-06-17 | | Release date: | 2020-03-11 | | Identifier: | 2-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3~{H}-inden-5-yl]oxy]ethanoic acid |
|
 | | ONK | | Name: | N-hexanoyl-L-valyl-N~1~-[(3S,4S)-3-hydroxy-2,6-dimethylhept-1-en-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide | | Formula: | C27 H50 N4 O5 | | SMILES: | O=C(NC(CC(C)C)C(O)C(=C)C)C(NC(=O)C(NC(=O)CCCCC)C(C)C)CCC(=O)N(C)C | | InChi: | InChI=1S/C27H50N4O5/c1-10-11-12-13-22(32)30-24(18(4)5)27(36)28-20(14-15-23(33)31(8)9)26(35)29-21(16-17(2)3)25(34)19(6)7/h17-18,20-21,24-25,34H,6,10-16H2,1-5,7-9H3,(H,28,36)(H,29,35)(H,30,32)/t20-,21-,24-,25-/m0/s1 | | Synonyms: | vinylketone carmaphycin analogue VNK1, single bound form | | Definition date: | 2012-11-01 | | Last modified: | 2020-06-17 | | Release date: | 2014-01-29 | | Identifier: | N-hexanoyl-L-valyl-N~1~-[(3S,4S)-3-hydroxy-2,6-dimethylhept-1-en-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide |
|
 | | P2P | | Name: | N7-(5'-PHOSPHO-ALPHA-RIBOSYL)-2-HYDROXYPURINE | | Formula: | C10 H13 N4 O8 P | | SMILES: | O=P(O)(O)OCC3OC(n2cnc1nc(O)ncc12)C(O)C3O | | InChi: | InChI=1S/C10H13N4O8P/c15-6-5(2-21-23(18,19)20)22-9(7(6)16)14-3-12-8-4(14)1-11-10(17)13-8/h1,3,5-7,9,15-16H,2H2,(H,11,13,17)(H2,18,19,20)/t5-,6-,7-,9+/m1/s1 | | Synonyms: | PHOSPHORIC ACID MONO-[3,4-DIHYDROXY-5-(5-HYDROXY-BENZOIMIDAZOL-1-YL)TETRAHYDRO-FURAN-2-YLMETHYL] ESTER | | Definition date: | 2001-07-10 | | Last modified: | 2020-06-17 | | Identifier: | 7-(5-O-phosphono-alpha-D-ribofuranosyl)-7H-purin-2-ol |
|
 | | LDP | | Name: | L-DOPAMINE | | Formula: | C8 H11 N O2 | | SMILES: | Oc1ccc(cc1O)CCN | | InChi: | InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2 | | Synonyms: | DOPAMINE | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 4-(2-aminoethyl)benzene-1,2-diol |
|
 | | TIY | | Name: | 2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one | | Formula: | C11 H8 O5 | | SMILES: | O=C2c1c(O)c(O)c(O)cc1C=CC=C2O | | InChi: | InChI=1S/C11H8O5/c12-6-3-1-2-5-4-7(13)10(15)11(16)8(5)9(6)14/h1-4,13,15-16H,(H,12,14) | | Synonyms: | Purpurogallin | | Definition date: | 2011-08-30 | | Last modified: | 2020-06-17 | | Identifier: | 2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one |
|
 | | QAQ | | Name: | [(4-{2-[(3-hydroxyphenyl)amino]-1H-benzimidazol-1-yl}-1,3,5-triazin-2-yl)amino]acetonitrile | | Formula: | C18 H14 N8 O | | SMILES: | N#CCNc1ncnc(n1)n3c4ccccc4nc3Nc2cccc(O)c2 | | InChi: | InChI=1S/C18H14N8O/c19-8-9-20-16-21-11-22-17(25-16)26-15-7-2-1-6-14(15)24-18(26)23-12-4-3-5-13(27)10-12/h1-7,10-11,27H,9H2,(H,23,24)(H,20,21,22,25) | | Synonyms: | 2-(4-(2-(3-hydroxyphenylamino)-1H-benzo[d]imidazol-1-yl)-1,3,5-triazin-2-ylamino)acetonitrile | | Definition date: | 2011-01-13 | | Last modified: | 2020-06-17 | | Identifier: | [(4-{2-[(3-hydroxyphenyl)amino]-1H-benzimidazol-1-yl}-1,3,5-triazin-2-yl)amino]acetonitrile |
|
 | | H70 | | Name: | 2,4-DICHLORO-6-(3,4,5-TRIBROMO-1H-PYRROL-2-YL)PHENOL | | Formula: | C10 H4 Br3 Cl2 N O | | SMILES: | Brc2c(c1cc(Cl)cc(Cl)c1O)nc(Br)c2Br | | InChi: | InChI=1S/C10H4Br3Cl2NO/c11-6-7(12)10(13)16-8(6)4-1-3(14)2-5(15)9(4)17/h1-2,16-17H | | Synonyms: | TRIBROMODICHLOROPSEUDILIN | | Definition date: | 2010-08-10 | | Last modified: | 2020-06-17 | | Identifier: | 2,4-dichloro-6-(3,4,5-tribromo-1H-pyrrol-2-yl)phenol |
|
 | | MLG | | Name: | N-[3-(2,4-DICHLOROPHENOXY)PROPYL]-N-METHYL-N-PROP-2-YNYLAMINE | | Formula: | C13 H15 Cl2 N O | | SMILES: | Clc1cc(Cl)ccc1OCCCN(CC#C)C | | InChi: | InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3 | | Synonyms: | N-METHYL-N-PROPARGYL-3-(2,4-DICHLOROPHENOXY)PROPYLAMINE | | Definition date: | 2003-10-08 | | Last modified: | 2020-06-17 | | Identifier: | N-[3-(2,4-dichlorophenoxy)propyl]-N-methylprop-2-yn-1-amine |
|
 | | P2Z | | Name: | Promazine | | Formula: | C17 H20 N2 S | | SMILES: | S2c1ccccc1N(c3c2cccc3)CCCN(C)C | | InChi: | InChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3 | | Synonyms: | N,N-dimethyl-3-(10H-phenothiazin-10-yl)propan-1-amine | | Definition date: | 2013-08-23 | | Last modified: | 2020-06-17 | | Release date: | 2014-01-22 | | Identifier: | N,N-dimethyl-3-(10H-phenothiazin-10-yl)propan-1-amine |
|
 | | TJ7 | | Name: | (2R,4S)-2-[(1S)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-1-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4
-carboxylic acid | | Formula: | C16 H20 N2 O7 S2 | | SMILES: | O=CC(OC)(C1SC(C(N1)C(O)=O)(C)C)NC(=O)C(C(O)=O)c2cscc2 | | InChi: | InChI=1S/C16H20N2O7S2/c1-15(2)10(13(23)24)17-14(27-15)16(7-19,25-3)18-11(20)9(12(21)22)8-4-5-26-6-8/h4-7,9-10,14,17H,1-3H3,(H,18,20)(H,21,22)(H,23,24)/t9-,10+,14-,16+/m1/s1 | | Synonyms: | temocillin | | Definition date: | 2019-10-15 | | Last modified: | 2020-06-17 | | Release date: | 2019-10-30 | | Identifier: | (2R,4S)-2-[(1S)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-1-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
|
 | | RHM | | Name: | DELTA-ALPHA-RH[2R,9R-DIAMINO-4,7-DIAZADECANE]9,10-PHENANTHRENEQUINONE DIIMINE | | Formula: | C22 H27 N6 Rh | | SMILES: | N3=C6c1ccccc1c2ccccc2C6=N[Rh+2]345NC(C)CNCCN5CC(N4)C | | InChi: | InChI=1S/C14H8N2.C8H19N4.Rh/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16 | | Synonyms: | RH(ME2TRIEN)PHI | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | [(2R,2'R)-N~1~,N~1~'-ethane-1,2-diyldipropane-1,2-diaminato(3-)-kappa~2~N,N'][phenanthrene-9,10-diiminato(2-)-kappa~2~N,N']rhodium(2+) |
|
 | | R45 | | Name: | N-{(2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-alpha-glutamyl-L-al
pha-glutamine | | Formula: | C29 H32 Br N4 O10 P | | SMILES: | O=C(O)CCC(C(=O)N)NC(=O)C(NC(=O)C(CP(=O)(O)c1ccc(Br)cc1)Cc3onc(c2ccccc2)c3)CCC(=O)O | | InChi: | InChI=1S/C29H32BrN4O10P/c30-19-6-8-21(9-7-19)45(42,43)16-18(14-20-15-24(34-44-20)17-4-2-1-3-5-17)28(40)33-23(11-13-26(37)38)29(41)32-22(27(31)39)10-12-25(35)36/h1-9,15,18,22-23H,10-14,16H2,(H2,31,39)(H,32,41)(H,33,40)(H,35,36)(H,37,38)(H,42,43)/t18-,22+,23+/m1/s1 | | Synonyms: | RXP470A | | Definition date: | 2012-10-04 | | Last modified: | 2020-06-17 | | Release date: | 2013-02-01 | | Identifier: | N-{(2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-alpha-glutamyl-L-alpha-glutamine |
|
 | | SB7 | | Name: | [HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL | | Formula: | C10 H15 N O2 | | SMILES: | OCN(O)CCCc1ccccc1 | | InChi: | InChI=1S/C10H15NO2/c12-9-11(13)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,12-13H,4,7-9H2 | | Synonyms: | SB-485345 | | Definition date: | 2005-08-11 | | Last modified: | 2020-06-17 | | Identifier: | [hydroxy(3-phenylpropyl)amino]methanol |
|
 | | RHN | | Name: | 4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid | | Formula: | C15 H8 O6 | | SMILES: | O=C(O)c3cc2C(=O)c1cccc(O)c1C(=O)c2c(O)c3 | | InChi: | InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21) | | Synonyms: | Rhein | | Definition date: | 2011-03-15 | | Last modified: | 2020-06-17 | | Identifier: | 4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid |
|
 | | PVK | | Name: | (S)-1-(2'-Amino-2'-carboxyethyl)-5,7-dihydrofuro[3,4-d]-pyrimidine-2,4(1H,3H)-dione | | Formula: | C9 H11 N3 O5 | | SMILES: | N[CH](CN1C(=O)NC(=O)C2=C1COC2)C(O)=O | | InChi: | InChI=1S/C9H11N3O5/c10-5(8(14)15)1-12-6-3-17-2-4(6)7(13)11-9(12)16/h5H,1-3,10H2,(H,14,15)(H,11,13,16)/t5-/m0/s1 | | Synonyms: | (2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)furo[3,4-d]pyrimidin-1-yl]propanoic acid | | Definition date: | 2020-04-28 | | Last modified: | 2020-06-17 | | Release date: | 2020-06-03 | | Identifier: | (2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)-5,7-dihydrofuro[3,4-d]pyrimidin-1-yl]propanoic acid |
|
 | | PHU | | Name: | 1-phenylurea | | Formula: | C7 H8 N2 O | | SMILES: | O=C(Nc1ccccc1)N | | InChi: | InChI=1S/C7H8N2O/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10) | | Synonyms: | Phenylurea | | Definition date: | 2011-06-24 | | Last modified: | 2020-06-17 | | Identifier: | 1-phenylurea |
|
 | | LE2 | | Name: | N-(2-phenylethyl)thioformamide | | Formula: | C9 H11 N S | | SMILES: | S=CNCCc1ccccc1 | | InChi: | InChI=1S/C9H11NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,10,11) | | Synonyms: | Phenylethyl isothiocyanate, bound form | | Definition date: | 2011-07-08 | | Last modified: | 2020-06-17 | | Identifier: | N-(2-phenylethyl)thioformamide |
|
