 | | HI6 | | Name: | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM | | Formula: | C14 H16 N4 O3 | | SMILES: | O=C(N)c1cc[n+](cc1)COC[n+]2ccccc2C=NO | | InChi: | InChI=1S/C14H14N4O3/c15-14(19)12-4-7-17(8-5-12)10-21-11-18-6-2-1-3-13(18)9-16-20/h1-9H,10-11H2,(H-,15,19)/p+2 | | Synonyms: | 1-(2-HYDROXY-IMINOMETHYLPYRIDINIUM)-1-(4-CARBOXYAMINO)-PYRIDINIUM DIMETHYLETHER | | Definition date: | 2006-05-15 | | Last modified: | 2020-06-17 | | Identifier: | 4-carbamoyl-1-[({2-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]pyridinium |
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 | | 093 | | Name: | N-(5-(4-CHLORO-3-(2-HYDROXY-ETHYLSULFAMOYL)- PHENYLTHIAZOLE-2-YL)-ACETAMIDE | | Formula: | C14 H16 Cl N3 O4 S2 | | SMILES: | O=C(N=C1/SC(=C(N1)C)c2ccc(Cl)c(c2)S(=O)(=O)NCCO)C | | InChi: | InChI=1S/C14H16ClN3O4S2/c1-8-13(23-14(17-8)18-9(2)20)10-3-4-11(15)12(7-10)24(21,22)16-5-6-19/h3-4,7,16,19H,5-6H2,1-2H3,(H,17,18,20) | | Synonyms: | PIK-93 | | Definition date: | 2006-03-16 | | Last modified: | 2020-06-17 | | Identifier: | N-[(2Z)-5-{4-chloro-3-[(2-hydroxyethyl)sulfamoyl]phenyl}-4-methyl-1,3-thiazol-2(3H)-ylidene]acetamide |
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 | | 09C | | Name: | (3S,5R)-3,5-bis(6-bromo-1H-indol-3-yl)piperazin-2-one | | Formula: | C20 H16 Br2 N4 O | | SMILES: | Brc1cc2c(cc1)c(cn2)C5C(=O)NCC(c3cnc4cc(Br)ccc34)N5 | | InChi: | InChI=1S/C20H16Br2N4O/c21-10-1-3-12-14(7-23-16(12)5-10)18-9-25-20(27)19(26-18)15-8-24-17-6-11(22)2-4-13(15)17/h1-8,18-19,23-24,26H,9H2,(H,25,27)/t18-,19-/m0/s1 | | Synonyms: | cis-3,4-dihydrohamacanthin B | | Definition date: | 2011-07-26 | | Last modified: | 2020-06-17 | | Identifier: | (3S,5R)-3,5-bis(6-bromo-1H-indol-3-yl)piperazin-2-one |
|
 | | HIU | | Name: | (2R)-3-HYDROXY-2-METHYLPROPANOIC ACID | | Formula: | C4 H8 O3 | | SMILES: | O=C(O)C(C)CO | | InChi: | InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1 | | Synonyms: | 3-HYDROXYISOBUTYRATE | | Definition date: | 2005-03-29 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-3-hydroxy-2-methylpropanoic acid |
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 | | HJ7 | | Name: | (2Z)-4-oxobut-2-ene-1,2,4-tricarboxylic acid | | Formula: | C7 H6 O7 | | SMILES: | C(C=C(CC(O)=O)C(O)=O)(=O)C(O)=O | | InChi: | InChI=1S/C7H6O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,9,10)(H,11,12)(H,13,14)/b3-1- | | Synonyms: | (3Z)-2-keto-4-carboxy-3-hexenedioate | | Definition date: | 2018-07-03 | | Last modified: | 2020-06-17 | | Release date: | 2018-09-26 | | Identifier: | (2Z)-4-oxobut-2-ene-1,2,4-tricarboxylic acid |
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 | | HJX | | Name: | 2-hydroxy-6-(tetradecyloxy)benzoic acid | | Formula: | C21 H34 O4 | | SMILES: | O=C(O)c1c(O)cccc1OCCCCCCCCCCCCCC | | InChi: | InChI=1S/C21H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-25-19-16-14-15-18(22)20(19)21(23)24/h14-16,22H,2-13,17H2,1H3,(H,23,24) | | Synonyms: | BPH-981 | | Definition date: | 2011-06-17 | | Last modified: | 2020-06-17 | | Release date: | 2019-02-27 | | Identifier: | 2-hydroxy-6-(tetradecyloxy)benzoic acid |
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 | | 0AS | | Name: | asiatic acid | | Formula: | C30 H48 O5 | | SMILES: | O=C(O)C54C(C3=CCC1C(CCC2C1(C)CC(O)C(O)C2(C)CO)(C)C3(C)CC4)C(C)C(C)CC5 | | InChi: | InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24+,26+,27+,28-,29-,30+/m1/s1 | | Synonyms: | (2alpha,3beta,5beta,20beta)-2,3,23-trihydroxyurs-12-en-28-oic acid | | Definition date: | 2007-08-06 | | Last modified: | 2020-06-17 | | Identifier: | (2alpha,3beta,5beta,20beta)-2,3,23-trihydroxyurs-12-en-28-oic acid |
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 | | HKG | | Name: | 1-{4-[5-({3-[(2-methylpyridin-3-yl)oxy]-5-[(pyridin-2-yl)sulfanyl]pyridin-2-yl}amino)-1,2,4-thiadiazol-3-yl]piperidin-1
-yl}ethan-1-one | | Formula: | C25 H25 N7 O2 S2 | | SMILES: | c4(nc(Nc1ncc(cc1Oc2c(nccc2)C)Sc3ccccn3)sn4)C5CCN(CC5)C(C)=O | | InChi: | InChI=1S/C25H25N7O2S2/c1-16-20(6-5-11-26-16)34-21-14-19(35-22-7-3-4-10-27-22)15-28-24(21)30-25-29-23(31-36-25)18-8-12-32(13-9-18)17(2)33/h3-7,10-11,14-15,18H,8-9,12-13H2,1-2H3,(H,28,29,30,31) | | Synonyms: | AR453588 | | Definition date: | 2018-07-09 | | Last modified: | 2020-06-17 | | Release date: | 2019-07-10 | | Identifier: | 1-{4-[5-({3-[(2-methylpyridin-3-yl)oxy]-5-[(pyridin-2-yl)sulfanyl]pyridin-2-yl}amino)-1,2,4-thiadiazol-3-yl]piperidin-1-yl}ethan-1-one |
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 | | HKT | | Name: | 1-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonyl-pyrrol-3-yl]-~{N}-methyl-methanamine | | Formula: | C17 H16 F N3 O2 S | | SMILES: | CNCc1cn(c(c1)c2ccccc2F)[S](=O)(=O)c3cccnc3 | | InChi: | InChI=1S/C17H16FN3O2S/c1-19-10-13-9-17(15-6-2-3-7-16(15)18)21(12-13)24(22,23)14-5-4-8-20-11-14/h2-9,11-12,19H,10H2,1H3 | | Synonyms: | Vonoprazan | | Definition date: | 2017-10-20 | | Last modified: | 2020-06-17 | | Release date: | 2018-04-11 | | Identifier: | 1-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonyl-pyrrol-3-yl]-~{N}-methyl-methanamine |
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 | | 0BD | | Name: | 3-methyl-1-(2-methylpropyl)butyl 4-O-beta-L-gulopyranosyl-beta-D-glucopyranoside | | Formula: | C21 H40 O11 | | SMILES: | CC(C)CC(CC(C)C)O[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O | | InChi: | InChI=1S/C21H40O11/c1-9(2)5-11(6-10(3)4)29-20-18(28)16(26)19(13(8-23)31-20)32-21-17(27)15(25)14(24)12(7-22)30-21/h9-28H,5-8H2,1-4H3/t12-,13+,14+,15-,16+,17-,18+,19+,20+,21+/m0/s1 | | Synonyms: | 2,6-dimethyl-4-heptyl 4-O-methyl-beta-D-glucopyranoside | | Definition date: | 2009-01-20 | | Last modified: | 2020-06-17 | | Identifier: | (2R,3S,4S,5S,6S)-2-[(2R,3S,4R,5R,6R)-6-(2,6-dimethylheptan-4-yloxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
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 | | 0BI | | Name: | (4S)-4-[(1R)-1-hydroxy-2-({1-[3-(1-methylethyl)phenyl]cyclopropyl}amino)ethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatric
yclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one | | Formula: | C35 H45 N3 O4 | | SMILES: | COCc1cc2NCCCCOc3cccc(C[CH](NC(=O)c(c1)c2)[CH](O)CNC4(CC4)c5cccc(c5)C(C)C)c3 | | InChi: | InChI=1S/C35H45N3O4/c1-24(2)27-9-7-10-29(20-27)35(12-13-35)37-22-33(39)32-19-25-8-6-11-31(18-25)42-15-5-4-14-36-30-17-26(23-41-3)16-28(21-30)34(40)38-32/h6-11,16-18,20-21,24,32-33,36-37,39H,4-5,12-15,19,22-23H2,1-3H3,(H,38,40)/t32-,33+/m0/s1 | | Synonyms: | (S)-4-{(R)-1-Hydroxy-2-[1-(3-isopropyl-phenyl)-cyclopropylamino]-ethyl}-19-methoxymethyl-11-oxa
3,16-diaza-tricyclo[15.3.1.1*6,10*]docosa-1(21),6,8,10(22),17 ,19-hexaen-2-one | | Definition date: | 2009-11-18 | | Last modified: | 2020-06-17 |
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 | | 0BU | | Name: | 8-({3-[({3-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl}carbamoyl)amino]benzoyl}amino)naphthalene-1,3,5-trisulfonic
acid | | Formula: | C35 H26 N4 O21 S6 | | SMILES: | O=S(=O)(O)c1c2c(cc(c1)S(=O)(=O)O)c(ccc2NC(=O)c3cc(ccc3)NC(=O)Nc4cccc(c4)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | | InChi: | InChI=1S/C35H26N4O21S6/c40-33(38-25-7-9-27(63(49,50)51)23-13-21(61(43,44)45)15-29(31(23)25)65(55,56)57)17-3-1-5-19(11-17)36-35(42)37-20-6-2-4-18(12-20)34(41)39-26-8-10-28(64(52,53)54)24-14-22(62(46,47)48)16-30(32(24)26)66(58,59)60/h1-16H,(H,38,40)(H,39,41)(H2,36,37,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60) | | Synonyms: | NF023 | | Definition date: | 2011-11-23 | | Last modified: | 2020-06-17 | | Identifier: | 8-({3-[({3-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl}carbamoyl)amino]benzoyl}amino)naphthalene-1,3,5-trisulfonic acid |
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 | | S7M | | Name: | [(3S)-3-amino-3-carboxypropyl]{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}ethyls
ulfonium | | Formula: | C16 H25 N6 O5 S | | SMILES: | O=C(O)C(N)CC[S+](CC)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C16H24N6O5S/c1-2-28(4-3-8(17)16(25)26)5-9-11(23)12(24)15(27-9)22-7-21-10-13(18)19-6-20-14(10)22/h6-9,11-12,15,23-24H,2-5,17H2,1H3,(H2-,18,19,20,25,26)/p+1/t8-,9+,11+,12+,15+,28-/m0/s1 | | Synonyms: | S-ADENOSYL ETHIONINE | | Definition date: | 2013-06-07 | | Last modified: | 2020-06-17 | | Release date: | 2013-06-19 | | Identifier: | [(3S)-3-amino-3-carboxypropyl]{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}ethylsulfonium (non-preferred name) |
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 | | 0CR | | Name: | MoMo-2-[4-(2-(4-(methoxy)-1H-1,2,3-triazol-1-yl)ethyl)benzenesulfonamide]-7,12-bis-[3-(4-(methoxy)-1H-1,2,3-triazol-1-y
l)propanoic acid]-cryptophane-A | | Formula: | C74 H74 N10 O18 S | | SMILES: | O=C(O)CCn1nnc(c1)COc%14cc%13c%12cc%14OCCOc2c(OC)cc6c(c2)Cc7cc(OC)c8OCCOc4cc(c(cc4OCc3nnn(c3)CCC(=O)O)Cc%11cc(OCCOc5c(OC)cc(c(c5)C6)Cc7c8)c(OCc9nnn(c9)CCc%10ccc(cc%10)S(=O)(=O)N)cc%11C%12)C%13 | | InChi: | InChI=1S/C74H74N10O18S/c1-91-61-26-45-21-49-30-66-63(93-3)28-47(49)22-50-31-65-62(92-2)27-46(50)20-48(45)29-64(61)94-14-17-97-67-32-51-24-55-36-71(101-42-58-39-83(80-77-58)12-9-73(85)86)69(99-19-16-96-66)34-53(55)25-56-37-72(102-43-59-40-84(81-78-59)13-10-74(87)88)68(98-18-15-95-65)33-52(56)23-54(51)35-70(67)100-41-57-38-82(79-76-57)11-8-44-4-6-60(7-5-44)103(75,89)90/h4-7,26-40H,8-25,41-43H2,1-3H3,(H,85,86)(H,87,88)(H2,75,89,90) | | Synonyms: | 3,3'-{[14,21,28-trimethoxy-42-({1-[2-(4-sulfamoylphenyl)ethyl]-1H-1,2,3-triazol-4-yl}methoxy)-9,12,30,33,43,46-hexaoxad
ecacyclo[20.20.4.3~8,37~.3~16,29~.1~13,17~.1~34,38~.0~3,40~.0~5,49~.0~19,24~.0~26,52~]tetrapentaconta-1(42),2,5,7,13(54)
,14,16,19,21,23,26,28,34(47),35,37,40,49,51-octadecaene-7,35-diyl]bis(oxymethanediyl-1H-1,2,3-triazole-4,1-diyl)}dipropa
noic acid | | Definition date: | 2008-04-28 | | Last modified: | 2020-06-17 | | Identifier: | 3,3'-{[14,21,28-trimethoxy-42-({1-[2-(4-sulfamoylphenyl)ethyl]-1H-1,2,3-triazol-4-yl}methoxy)-9,12,30,33,43,46-hexaoxadecacyclo[20.20.4.3~8,37~.3~16,29~.1~13,17~.1~34,38~.0~3,40~.0~5,49~.0~19,24~.0~26,52~]tetrapentaconta-1(42),2,5,7,13(54),14,16,19,21,23,26,28,34(47),35,37,40,49,51-octadecaene-7,35-diyl]bis(oxymethanediyl-1H-1,2,3-triazole-4,1-diyl)}dipropanoic acid (non-preferred name) |
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 | | 0DV | | Name: | (4R,5R,6R,6aS,9S,9aE,10aR)-5-hydroxy-9-(hydroxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrod
icyclopenta[a,d][8]annulen-4-yl alpha-D-gulopyranoside | | Formula: | C26 H42 O8 | | SMILES: | O(C3C1=C(C(C)C)CCC1(C=C2C(CO)CCC2C(C3O)C)C)C4OC(C(O)C(O)C4O)CO | | InChi: | InChI=1S/C26H42O8/c1-12(2)15-7-8-26(4)9-17-14(10-27)5-6-16(17)13(3)20(29)24(19(15)26)34-25-23(32)22(31)21(30)18(11-28)33-25/h9,12-14,16,18,20-25,27-32H,5-8,10-11H2,1-4H3/b17-9-/t13-,14-,16+,18-,20-,21+,22-,23-,24-,25-,26-/m1/s1 | | Synonyms: | Fusicoccin H | | Definition date: | 2011-12-17 | | Last modified: | 2020-06-17 | | Release date: | 2012-12-28 | | Identifier: | (4R,5R,6R,6aS,9S,9aE,10aR)-5-hydroxy-9-(hydroxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl alpha-D-gulopyranoside |
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 | | 0DY | | Name: | N~1~-(3-aminobenzyl)-N~2~-[(2R)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-L-aspartamide | | Formula: | C18 H27 N5 O5 | | SMILES: | O=C(NO)C(C(=O)NC(C(=O)NCc1cc(N)ccc1)CC(=O)N)CC(C)C | | InChi: | InChI=1S/C18H27N5O5/c1-10(2)6-13(17(26)23-28)16(25)22-14(8-15(20)24)18(27)21-9-11-4-3-5-12(19)7-11/h3-5,7,10,13-14,28H,6,8-9,19H2,1-2H3,(H2,20,24)(H,21,27)(H,22,25)(H,23,26)/t13-,14-/m0/s1 | | Synonyms: | HONH-iBM-Asn-NHBn(m-NH2) | | Definition date: | 2008-11-07 | | Last modified: | 2020-06-17 | | Identifier: | N~1~-(3-aminobenzyl)-N~2~-[(2R)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-L-aspartamide |
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 | | 0E7 | | Name: | methyl N-(4-carbamimidamidobutanoyl)-L-phenylalanyl-L-allothreonyl-L-phenylalaninate | | Formula: | C28 H38 N6 O6 | | SMILES: | O=C(NC(C(=O)NC(C(=O)NC(C(=O)OC)Cc1ccccc1)C(O)C)Cc2ccccc2)CCCNC(=[N@H])N | | InChi: | InChI=1S/C28H38N6O6/c1-18(35)24(26(38)33-22(27(39)40-2)17-20-12-7-4-8-13-20)34-25(37)21(16-19-10-5-3-6-11-19)32-23(36)14-9-15-31-28(29)30/h3-8,10-13,18,21-22,24,35H,9,14-17H2,1-2H3,(H,32,36)(H,33,38)(H,34,37)(H4,29,30,31)/t18-,21-,22-,24-/m0/s1 | | Synonyms: | BMS-183507 | | Definition date: | 2008-09-14 | | Last modified: | 2020-06-17 | | Identifier: | methyl N-(4-carbamimidamidobutanoyl)-L-phenylalanyl-L-allothreonyl-L-phenylalaninate |
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 | | 0E8 | | Name: | di-tert-butyl {iminobis[(2S,3S)-3-hydroxy-1-phenylbutane-4,2-diyl]}biscarbamate | | Formula: | C30 H45 N3 O6 | | SMILES: | O=C(OC(C)(C)C)NC(Cc1ccccc1)C(O)CNCC(O)C(NC(=O)OC(C)(C)C)Cc2ccccc2 | | InChi: | InChI=1S/C30H45N3O6/c1-29(2,3)38-27(36)32-23(17-21-13-9-7-10-14-21)25(34)19-31-20-26(35)24(18-22-15-11-8-12-16-22)33-28(37)39-30(4,5)6/h7-16,23-26,31,34-35H,17-20H2,1-6H3,(H,32,36)(H,33,37)/t23-,24-,25+,26+/m0/s1 | | Synonyms: | BMS-182193 | | Definition date: | 2008-11-06 | | Last modified: | 2020-06-17 | | Identifier: | di-tert-butyl {iminobis[(2S,3R)-3-hydroxy-1-phenylbutane-4,2-diyl]}biscarbamate |
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 | | S98 | | Name: | 6-amino-2-[(thiophen-2-ylmethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | | Formula: | C14 H12 N6 O S | | SMILES: | O=C1c2cc3nc(nc3cc2N=C(N)N1)NCc4sccc4 | | InChi: | InChI=1S/C14H12N6OS/c15-13-17-9-5-11-10(4-8(9)12(21)20-13)18-14(19-11)16-6-7-2-1-3-22-7/h1-5H,6H2,(H2,16,18,19)(H3,15,17,20,21) | | Synonyms: | 1-(2-thienyl)methyl-2-amino-lin-Benzogunaine | | Definition date: | 2008-01-31 | | Last modified: | 2020-06-17 | | Identifier: | 6-amino-2-[(thiophen-2-ylmethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one |
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 | | 0EO | | Name: | (2S)-2-[[(3S,4S)-5-cyclohexyl-4-[[(4S,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanyl-6-phenyl-hexanoyl]amino]
-3-oxidanyl-pentanoyl]amino]-4-methyl-pentanoic acid | | Formula: | C34 H55 N3 O8 | | SMILES: | O=C(O)C(NC(=O)CC(O)C(NC(=O)CCC(O)C(NC(=O)OC(C)(C)C)Cc1ccccc1)CC2CCCCC2)CC(C)C | | InChi: | InChI=1S/C34H55N3O8/c1-22(2)18-27(32(42)43)36-31(41)21-29(39)26(20-24-14-10-7-11-15-24)35-30(40)17-16-28(38)25(19-23-12-8-6-9-13-23)37-33(44)45-34(3,4)5/h6,8-9,12-13,22,24-29,38-39H,7,10-11,14-21H2,1-5H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43)/t25-,26-,27-,28-,29-/m0/s1 | | Synonyms: | PD125754 | | Definition date: | 2008-09-14 | | Last modified: | 2020-06-17 | | Identifier: | (6S,7S,12S,13S,17S)-6-benzyl-12-(cyclohexylmethyl)-7,13-dihydroxy-2,2-dimethyl-17-(2-methylpropyl)-4,10,15-trioxo-3-oxa-5,11,16-triazaoctadecan-18-oic acid (non-preferred name) |
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 | | S9T | | Name: | (1~{S})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline | | Formula: | C20 H25 N O4 | | SMILES: | COc1ccc(C[CH]2NCCc3cc(OC)c(OC)cc23)cc1OC | | InChi: | InChI=1S/C20H25NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-6,10-12,16,21H,7-9H2,1-4H3/t16-/m0/s1 | | Synonyms: | S-Tetrahydropapaverine | | Definition date: | 2016-07-11 | | Last modified: | 2020-06-17 | | Release date: | 2016-09-07 | | Identifier: | (1~{S})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline |
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 | | SA8 | | Name: | S-5'-AZAMETHIONINE-5'-DEOXYADENOSINE | | Formula: | C15 H23 N7 O5 | | SMILES: | O=C(O)C(N)CCN(C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C15H23N7O5/c1-21(3-2-7(16)15(25)26)4-8-10(23)11(24)14(27-8)22-6-20-9-12(17)18-5-19-13(9)22/h5-8,10-11,14,23-24H,2-4,16H2,1H3,(H,25,26)(H2,17,18,19)/t7-,8+,10+,11+,14+/m0/s1 | | Synonyms: | 5'-[N-[(3S)-3-AMINO-3-CARBOXYPROPYL]-N-METHYLAMINO]-5'-DEOXYADENOSINE | | Definition date: | 2005-03-16 | | Last modified: | 2020-06-17 | | Identifier: | 5'-{[(3S)-3-amino-3-carboxypropyl](methyl)amino}-5'-deoxyadenosine |
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 | | SAG | | Name: | (S)-(+)-2-[4-(FLUOROBENZYLOXY-BENZYLAMINO)PROPIONAMIDE] | | Formula: | C17 H17 F N2 O2 | | SMILES: | O=C(N)C(/N=C/c2ccc(OCc1cccc(F)c1)cc2)C | | InChi: | InChI=1S/C17H17FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-10,12H,11H2,1H3,(H2,19,21)/b20-10+/t12-/m0/s1 | | Synonyms: | SAFINAMIDE | | Definition date: | 2007-07-12 | | Last modified: | 2020-06-17 | | Identifier: | (E)-N~2~-({4-[(3-fluorobenzyl)oxy]phenyl}methylidene)-L-alaninamide |
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 | | 790 | | Name: | 1,2,3,4-TETRAHYDROQUINOLIN-8-YL DIHYDROGEN PHOSPHATE | | Formula: | C9 H12 N O4 P | | SMILES: | O=P(O)(O)Oc1cccc2c1NCCC2 | | InChi: | InChI=1S/C9H12NO4P/c11-15(12,13)14-8-5-1-3-7-4-2-6-10-9(7)8/h1,3,5,10H,2,4,6H2,(H2,11,12,13) | | Synonyms: | RU79073 | | Definition date: | 2003-06-20 | | Last modified: | 2020-06-17 | | Identifier: | 1,2,3,4-tetrahydroquinolin-8-yl dihydrogen phosphate |
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 | | SAK | | Name: | (2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one | | Formula: | C16 H14 O5 | | SMILES: | O=C2c3c(OC(c1ccc(O)cc1)C2)cc(OC)cc3O | | InChi: | InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1 | | Synonyms: | sakuranetin | | Definition date: | 2008-05-12 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one |
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