 | | HU2 | | Name: | (2S)-({N-[(3S)-3-({N-[(2S,4E)-2-ISOPROPYL-7-METHYLOCT-4-ENOYL]-L-LEUCYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETI
C ACID | | Formula: | C34 H52 N4 O7 | | SMILES: | O=C(NC(C(=O)NC(C(=O)C(=O)NCC(=O)NC(C(=O)O)c1ccccc1)CCC)CC(C)C)C(C/C=C/CC(C)C)C(C)C | | InChi: | InChI=1S/C34H52N4O7/c1-8-14-26(30(40)33(43)35-20-28(39)38-29(34(44)45)24-16-10-9-11-17-24)36-32(42)27(19-22(4)5)37-31(41)25(23(6)7)18-13-12-15-21(2)3/h9-13,16-17,21-23,25-27,29H,8,14-15,18-20H2,1-7H3,(H,35,43)(H,36,42)(H,37,41)(H,38,39)(H,44,45)/b13-12+/t25-,26-,27-,29-/m0/s1 | | Synonyms: | Ketoamide Inhibitor CVS4819, bound form | | Definition date: | 2007-01-09 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-({N-[(3S)-3-({N-[(2S,4E)-7-methyl-2-(propan-2-yl)oct-4-enoyl]-L-leucyl}amino)-2-oxohexanoyl]glycyl}amino)(phenyl)ethanoic acid |
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 | | 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 |
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 | | 3WL | | Name: | 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one | | Formula: | C15 H10 O5 | | SMILES: | O=C1c3c(O)c(O)c(O)cc3OC(=C1)c2ccccc2 | | InChi: | InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H | | Synonyms: | Baicalein | | Definition date: | 2014-11-27 | | Last modified: | 2020-06-17 | | Release date: | 2015-09-16 | | Identifier: | 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one |
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 | | 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 |
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 | | 3X9 | | Name: | 3-{[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]disulfanyl}-L-alanine | | Formula: | C12 H22 N2 O3 S2 | | SMILES: | O=C(O)C(N)CSSCC1=CC(N(O)C1(C)C)(C)C | | InChi: | InChI=1S/C12H22N2O3S2/c1-11(2)5-8(12(3,4)14(11)17)6-18-19-7-9(13)10(15)16/h5,9,17H,6-7,13H2,1-4H3,(H,15,16)/t9-/m0/s1 | | Synonyms: | CYS with MTSL | | Definition date: | 2014-12-04 | | Last modified: | 2020-06-17 | | Release date: | 2015-03-25 | | Identifier: | 3-{[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]disulfanyl}-L-alanine |
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 | | 3XH | | Name: | 3-Hydroxyhippuric acid | | Formula: | C9 H9 N O4 | | SMILES: | O=C(c1cc(O)ccc1)NCC(=O)O | | InChi: | InChI=1S/C9H9NO4/c11-7-3-1-2-6(4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13) | | Synonyms: | N-[(3-hydroxyphenyl)carbonyl]glycine | | Definition date: | 2008-08-26 | | Last modified: | 2020-06-17 | | Identifier: | N-[(3-hydroxyphenyl)carbonyl]glycine |
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 | | 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 |
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 | | 3XU | | Name: | (4S,7S,23Z)-4-hydroxy-7-[(1S,2Z)-1-hydroxyhexadec-2-en-1-yl]-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphadotriacont-
23-en-1-aminium 4-oxide | | Formula: | C47 H94 N2 O6 P | | SMILES: | O=P(OCC(NC(=O)CCCCCCCCCCCCCC=C/CCCCCCCC)C(O)C=C/CCCCCCCCCCCCC)(OCC[N+](C)(C)C)O | | InChi: | InChI=1S/C47H93N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h20-21,38,40,45-46,50H,6-19,22-37,39,41-44H2,1-5H3,(H-,48,51,52,53)/p+1/b21-20-,40-38-/t45-,46-/m0/s1 | | Synonyms: | N_nervonoyl_D_erythro_sphingosylphosphorylcholine | | Definition date: | 2014-12-08 | | Last modified: | 2020-06-17 | | Release date: | 2015-02-04 | | Identifier: | (4S,7S,23Z)-4-hydroxy-7-[(1S,2Z)-1-hydroxyhexadec-2-en-1-yl]-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphadotriacont-23-en-1-aminium 4-oxide |
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 | | 3XY | | Name: | 5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile | | Formula: | C23 H21 F3 N6 S | | SMILES: | N#Cc2nc1ccc(cc1c2)CN5CCC(Nc3ncnc4sc(cc34)CC(F)(F)F)CC5 | | InChi: | InChI=1S/C23H21F3N6S/c24-23(25,26)10-18-9-19-21(28-13-29-22(19)33-18)31-16-3-5-32(6-4-16)12-14-1-2-20-15(7-14)8-17(11-27)30-20/h1-2,7-9,13,16,30H,3-6,10,12H2,(H,28,29,31) | | Synonyms: | MI-136 | | Definition date: | 2014-12-08 | | Last modified: | 2020-06-17 | | Release date: | 2015-04-15 | | Identifier: | 5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile |
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 | | 3YI | | Name: | (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam
ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate | | Formula: | C38 H47 N O13 | | SMILES: | c1(c4c(O)c(c3OC2(OC=CC(OC)C(C(OC(=O)C)C(C(O)C(C(O)C(C=CC=C(C(Nc1c(c(O)c4c3C2=O)C=O)=O)C)C)C)C)C)C)C)O | | InChi: | InChI=1S/C38H47NO13/c1-16-11-10-12-17(2)37(48)39-28-23(15-40)32(45)25-26(33(28)46)31(44)21(6)35-27(25)36(47)38(8,52-35)50-14-13-24(49-9)18(3)34(51-22(7)41)20(5)30(43)19(4)29(16)42/h10-16,18-20,24,29-30,34,42-46H,1-9H3,(H,39,48)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,24-,29-,30+,34+,38-/m0/s1 | | Synonyms: | 3-formyl rifamycin SV | | Definition date: | 2017-10-26 | | Last modified: | 2020-06-17 | | Release date: | 2018-07-18 | | Identifier: | (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate |
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 | | 3YN | | Name: | [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl
(2R,4R,6R)-4-hydroxy-6-methyl-5-oxotetrahydro-2H-pyran-2-yl dihydrogen diphosphate | | Formula: | C16 H24 N2 O14 P2 | | SMILES: | O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)COP(=O)(OP(=O)(OC3OC(C(=O)C(O)C3)C)O)O)C | | InChi: | InChI=1S/C16H24N2O14P2/c1-7-5-18(16(23)17-15(7)22)12-3-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-10(20)14(21)8(2)29-13/h5,8-13,19-20H,3-4,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9+,10-,11-,12-,13-/m1/s1 | | Synonyms: | TDP-4-keto-D-olivose | | Definition date: | 2014-12-10 | | Last modified: | 2020-06-17 | | Release date: | 2015-01-28 | | Identifier: | [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl (2R,4R,6R)-4-hydroxy-6-methyl-5-oxotetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name) |
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 | | 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 |
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 | | 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) |
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 | | 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 |
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 | | 3ZO | | Name: | 2'-DEOXY-XANTHOSINE-5'-MONOPHOSPHATE | | Formula: | C10 H13 N4 O8 P | | SMILES: | O=P(O)(O)OCC3OC(n1cnc2c1NC(=O)NC2=O)CC3O | | InChi: | InChI=1S/C10H13N4O8P/c15-4-1-6(22-5(4)2-21-23(18,19)20)14-3-11-7-8(14)12-10(17)13-9(7)16/h3-6,15H,1-2H2,(H2,18,19,20)(H2,12,13,16,17)/t4-,5+,6+/m0/s1 | | Synonyms: | 2'-deoxy-5'-2,3-dihydroxanthylic acid | | Definition date: | 2014-12-24 | | Last modified: | 2020-06-17 | | Release date: | 2015-10-14 | | Identifier: | 2'-deoxy-5'-2,3-dihydroxanthylic acid |
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 | | 405 | | Name: | (3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine | | Formula: | C16 H16 F3 N O | | SMILES: | FC(F)(F)c2ccc(OC(c1ccccc1)CCN)cc2 | | InChi: | InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m0/s1 | | Synonyms: | (S)-Norfluoxetine | | Definition date: | 2014-12-22 | | Last modified: | 2020-06-17 | | Release date: | 2015-03-18 | | Identifier: | (3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine |
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 | | 406 | | Name: | N-[3-(4,5'-BIPYRIMIDIN-2-YLAMINO)-4-METHYLPHENYL]-4-{[(3S)-3-(DIMETHYLAMINO)PYRROLIDIN-1-YL]METHYL}-3-(TRIFLUOROMETHYL)
BENZAMIDE | | Formula: | C30 H31 F3 N8 O | | SMILES: | FC(F)(F)c4cc(C(=O)Nc3ccc(c(Nc2nc(c1cncnc1)ccn2)c3)C)ccc4CN5CCC(N(C)C)C5 | | InChi: | InChI=1S/C30H31F3N8O/c1-19-4-7-23(13-27(19)39-29-36-10-8-26(38-29)22-14-34-18-35-15-22)37-28(42)20-5-6-21(25(12-20)30(31,32)33)16-41-11-9-24(17-41)40(2)3/h4-8,10,12-15,18,24H,9,11,16-17H2,1-3H3,(H,37,42)(H,36,38,39)/t24-/m0/s1 | | Synonyms: | INNO-406 | | Definition date: | 2006-11-13 | | Last modified: | 2020-06-17 | | Identifier: | N-[3-(4,5'-bipyrimidin-2-ylamino)-4-methylphenyl]-4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl}-3-(trifluoromethyl)benzamide |
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 | | HZH | | Name: | 1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-2-one | | Formula: | C11 H11 F3 O S | | SMILES: | FC(F)(F)C(=O)CSCCc1ccccc1 | | InChi: | InChI=1S/C11H11F3OS/c12-11(13,14)10(15)8-16-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2 | | Synonyms: | 3-phenethylthio-1,1,1-trifluoropropan-2-one, PETFP | | Definition date: | 2008-06-11 | | Last modified: | 2020-06-17 | | Identifier: | 1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-2-one |
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 | | 7MI | | Name: | methyl
(2S,4aR,4bS,5S,6aS,10aS,10bS,12aS)-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-5-oxidanyl-1,4,6,8-tetrakis(oxidanylidene)
-5,6a,9,10,10b,11-hexahydro-4aH-naphtho[1,2-h]isochromene-2-carboxylate | | Formula: | C26 H34 O8 | | SMILES: | COC(=O)[C]1(C)OC(=O)[CH]2[C]3(C)[CH](O)C(=O)[CH]4C(C)(C)C(=O)CC[C]4(C)[CH]3CC(=C)[C]2(C)C1=O | | InChi: | InChI=1S/C26H34O8/c1-12-11-13-23(4)10-9-14(27)22(2,3)16(23)15(28)18(29)25(13,6)17-19(30)34-26(7,21(32)33-8)20(31)24(12,17)5/h13,16-18,29H,1,9-11H2,2-8H3/t13-,16+,17-,18+,23-,24+,25-,26-/m0/s1 | | Synonyms: | methyl
(2S,4aR,4bS,5S,6aS,10aS,10bS,12aS)-5-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,6,8-tetraoxohexadecahydro-2H-n
aphtho[1,2-h]isochromene-2-carboxylate | | Definition date: | 2016-12-06 | | Last modified: | 2020-06-17 | | Release date: | 2017-07-26 | | Identifier: | methyl (2~{S},4~{a}~{R},4~{b}~{S},5~{S},6~{a}~{S},10~{a}~{S},10~{b}~{S},12~{a}~{S})-2,4~{b},7,7,10~{a},12~{a}-hexamethyl-12-methylidene-5-oxidanyl-1,4,6,8-tetrakis(oxidanylidene)-5,6~{a},9,10,10~{b},11-hexahydro-4~{a}~{H}-naphtho[1,2-h]isochromene-2-carboxylate |
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 | | I03 | | Name: | (2S)-2-AMINO-2-BENZYL-3-HYDROXYPROPYL
3-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-5-[METHYL(METHYLSULFONYL)AMINO]BENZOATE | | Formula: | C28 H32 F N3 O6 S | | SMILES: | O=S(=O)(N(c1cc(cc(c1)C(=O)OCC(N)(Cc2ccccc2)CO)C(=O)NC(c3ccc(F)cc3)C)C)C | | InChi: | InChI=1S/C28H32FN3O6S/c1-19(21-9-11-24(29)12-10-21)31-26(34)22-13-23(15-25(14-22)32(2)39(3,36)37)27(35)38-18-28(30,17-33)16-20-7-5-4-6-8-20/h4-15,19,33H,16-18,30H2,1-3H3,(H,31,34)/t19-,28+/m1/s1 | | Synonyms: | N-[1-BENZYL-2-HYDROXY-1-(HYDROXYMETHYL)ETHYL]-N'-{[(1R)-1-(4-FLUOROPHENYL)ETHYL]-5-[N-METHYL-N-(METHYLSULFONYL)AMINO]}I
SOPHTHALIMIDE | | Definition date: | 2006-10-25 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-2-amino-2-benzyl-3-hydroxypropyl 3-{[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl}-5-[methyl(methylsulfonyl)amino]benzoate |
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 | | 7NP | | Name: | (2S)-7-methoxy-2-methyl-3,4-dihydronaphthalen-1(2H)-one | | Formula: | C12 H14 O2 | | SMILES: | O=C2c1c(ccc(OC)c1)CCC2C | | InChi: | InChI=1S/C12H14O2/c1-8-3-4-9-5-6-10(14-2)7-11(9)12(8)13/h5-8H,3-4H2,1-2H3/t8-/m0/s1 | | Synonyms: | Bound form of 7-METHOXY-2-(PIPERIDIN-1-YLMETHYL)-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE HYDROCHLORDIDE | | Definition date: | 2014-06-09 | | Last modified: | 2020-06-17 | | Release date: | 2014-07-23 | | Identifier: | (2S)-7-methoxy-2-methyl-3,4-dihydronaphthalen-1(2H)-one |
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 | | QPP | | Name: | N-(5-METHYL-1H-PYRAZOL-3-YL)-2-PHENYLQUINAZOLIN-4-AMINE | | Formula: | C18 H15 N5 | | SMILES: | n2c(Nc1nnc(c1)C)c4ccccc4nc2c3ccccc3 | | InChi: | InChI=1S/C18H15N5/c1-12-11-16(23-22-12)20-18-14-9-5-6-10-15(14)19-17(21-18)13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20,21,22,23) | | Synonyms: | 5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE | | Definition date: | 2006-12-19 | | Last modified: | 2020-06-17 | | Identifier: | N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine |
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 | | 7PP | | Name: | 5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2
-ol | | Formula: | C21 H24 Cl N5 O2 | | SMILES: | Clc1nc(nc2c1c(C#CCC(O)(C)C)cn2Cc3ncc(c(OC)c3C)C)N | | InChi: | InChI=1S/C21H24ClN5O2/c1-12-9-24-15(13(2)17(12)29-5)11-27-10-14(7-6-8-21(3,4)28)16-18(22)25-20(23)26-19(16)27/h9-10,28H,8,11H2,1-5H3,(H2,23,25,26) | | Synonyms: | EC44 | | Definition date: | 2010-06-25 | | Last modified: | 2020-06-17 | | Identifier: | 5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2-ol |
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 | | 7PT | | Name: | pentalenolactone | | Formula: | C15 H16 O5 | | SMILES: | C1(C4C3(C=C1C)C2(OC2)C(=O)OCC3C(=C4)C(O)=O)C | | InChi: | InChI=1S/C15H16O5/c1-7-4-14-10(8(7)2)3-9(12(16)17)11(14)5-19-13(18)15(14)6-20-15/h3-4,8,10-11H,5-6H2,1-2H3,(H,16,17)/t8-,10-,11+,14-,15-/m1/s1 | | Synonyms: | (2R,4a'S,7'S,7a'R,9a'R)-6',7'-dimethyl-3'-oxo-1',7',7a',9a'-tetrahydro-3'H-spiro[oxirane-2,4'-pentaleno[1,6a-c]pyran]-9
'-carboxylic acid | | Definition date: | 2016-08-04 | | Last modified: | 2020-06-17 | | Release date: | 2016-09-14 | | Identifier: | (2R,4a'S,7'S,7a'R,9a'R)-6',7'-dimethyl-3'-oxo-1',7',7a',9a'-tetrahydro-3'H-spiro[oxirane-2,4'-pentaleno[1,6a-c]pyran]-9'-carboxylic acid |
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 | | QSO | | Name: | 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one | | Formula: | C16 H12 O5 | | SMILES: | O=C1c3c(OC=C1c2ccc(OC)cc2)cc(O)cc3O | | InChi: | InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3 | | Synonyms: | Biochanin A | | Definition date: | 2007-09-26 | | Last modified: | 2020-06-17 | | Identifier: | 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one |
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