 | | A1AUF | | Name: | N-[4-chloro-3-(morpholin-4-yl)phenyl]-N~2~-[3-(hydroxymethyl)quinolin-6-yl]-L-alaninamide | | Formula: | C23 H25 Cl N4 O3 | | SMILES: | OCc1cc2cc(ccc2nc1)NC(C)C(=O)Nc1cc(c(Cl)cc1)N1CCOCC1 | | InChi: | InChI=1S/C23H25ClN4O3/c1-15(26-18-3-5-21-17(11-18)10-16(14-29)13-25-21)23(30)27-19-2-4-20(24)22(12-19)28-6-8-31-9-7-28/h2-5,10-13,15,26,29H,6-9,14H2,1H3,(H,27,30)/t15-/m0/s1 | | Definition date: | 2024-06-05 | | Last modified: | 2024-09-13 | | Release date: | 2024-09-18 | | Identifier: | N-[4-chloro-3-(morpholin-4-yl)phenyl]-N~2~-[3-(hydroxymethyl)quinolin-6-yl]-L-alaninamide |
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 | | A1AAQ | | Name: | 4,4'-[pyridine-2,6-diylbis(methyleneoxy)]di(benzene-1-carboximidamide) | | Formula: | C21 H21 N5 O2 | | SMILES: | N=C(N)c1ccc(cc1)OCc1cccc(COc2ccc(cc2)C(=N)N)n1 | | InChi: | InChI=1S/C21H21N5O2/c22-20(23)14-4-8-18(9-5-14)27-12-16-2-1-3-17(26-16)13-28-19-10-6-15(7-11-19)21(24)25/h1-11H,12-13H2,(H3,22,23)(H3,24,25) | | Definition date: | 2023-12-19 | | Last modified: | 2024-09-13 | | Release date: | 2024-09-18 | | Identifier: | 4,4'-[pyridine-2,6-diylbis(methyleneoxy)]di(benzene-1-carboximidamide) |
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 | | A1A0L | | Name: | 1-{(2R,3R,4S)-3-hydroxy-4-[(trihydroxy-lambda~5~-phosphanyl)oxy]oxolan-2-yl}-4-methoxy-5-methylpyrimidin-2(1H)-one | | Formula: | C10 H15 N2 O8 P | | SMILES: | O=P(O)(O)OC1COC(N2C=C(C)C(=NC2=O)OC)C1O | | InChi: | InChI=1S/C10H15N2O8P/c1-5-3-12(10(14)11-8(5)18-2)9-7(13)6(4-19-9)20-21(15,16)17/h3,6-7,9,13H,4H2,1-2H3,(H2,15,16,17)/t6-,7+,9+/m0/s1 | | Definition date: | 2024-07-30 | | Last modified: | 2024-09-13 | | Release date: | 2024-09-18 | | Identifier: | (3S,4R,5R)-4-hydroxy-5-(4-methoxy-5-methyl-2-oxopyrimidin-1(2H)-yl)oxolan-3-yl dihydrogen phosphate |
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 | | A1AV4 | | Name: | (1S,4r)-4-[(1P)-5-chloro-1-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-6-yl]-1-(oxetan-3-yl)piperidin-1-ium | | Formula: | C19 H23 Cl N5 O | | SMILES: | Cn1cc(cn1)n1ncc2cc(Cl)c(cc12)C1CC[NH+](CC1)C1COC1 | | InChi: | InChI=1S/C19H22ClN5O/c1-23-10-15(9-21-23)25-19-7-17(18(20)6-14(19)8-22-25)13-2-4-24(5-3-13)16-11-26-12-16/h6-10,13,16H,2-5,11-12H2,1H3/p+1 | | Definition date: | 2024-06-27 | | Last modified: | 2024-09-13 | | Release date: | 2024-09-18 | | Identifier: | (1S,4r)-4-[(1P)-5-chloro-1-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-6-yl]-1-(oxetan-3-yl)piperidin-1-ium |
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 | | A1AWE | | Name: | 2-{[(1R)-1-(6-nitro-2H-1,3-benzodioxol-5-yl)ethyl]sulfanyl}ethyl formate | | Formula: | C12 H13 N O6 S | | SMILES: | CC(SCCOC=O)c1cc2OCOc2cc1[N+]([O-])=O | | InChi: | InChI=1S/C12H13NO6S/c1-8(20-3-2-17-6-14)9-4-11-12(19-7-18-11)5-10(9)13(15)16/h4-6,8H,2-3,7H2,1H3/t8-/m1/s1 | | Definition date: | 2024-07-01 | | Last modified: | 2024-09-13 | | Release date: | 2024-09-18 | | Identifier: | 2-{[(1R)-1-(6-nitro-2H-1,3-benzodioxol-5-yl)ethyl]sulfanyl}ethyl formate |
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 | | A1AWF | | Name: | (2S,4R,5S,6S,8R,12R,13R)-5,13-dihydroxy-2,4,6,8,12-pentamethyl-3,9-dioxopentadecanal | | Formula: | C20 H36 O5 | | SMILES: | CC(CC(C)C(=O)CCC(C)C(O)CC)C(O)C(C)C(=O)C(C)C=O | | InChi: | InChI=1S/C20H36O5/c1-7-17(22)12(2)8-9-18(23)13(3)10-14(4)19(24)16(6)20(25)15(5)11-21/h11-17,19,22,24H,7-10H2,1-6H3/t12-,13-,14+,15+,16-,17-,19+/m1/s1 | | Definition date: | 2024-07-01 | | Last modified: | 2024-09-13 | | Release date: | 2024-09-18 | | Identifier: | (2S,4R,5S,6S,8R,12R,13R)-5,13-dihydroxy-2,4,6,8,12-pentamethyl-3,9-dioxopentadecanal |
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 | | A1H55 | | Name: | ~{N}-[4-[4-[3,5-bis(chloranyl)phenyl]piperazin-1-yl]sulfonylphenyl]-3-(methylsulfonylamino)benzamide | | Formula: | C24 H24 Cl2 N4 O5 S2 | | SMILES: | C[S](=O)(=O)Nc1cccc(c1)C(=O)Nc2ccc(cc2)[S](=O)(=O)N3CCN(CC3)c4cc(Cl)cc(Cl)c4 | | InChi: | InChI=1S/C24H24Cl2N4O5S2/c1-36(32,33)28-21-4-2-3-17(13-21)24(31)27-20-5-7-23(8-6-20)37(34,35)30-11-9-29(10-12-30)22-15-18(25)14-19(26)16-22/h2-8,13-16,28H,9-12H2,1H3,(H,27,31) | | Definition date: | 2024-03-13 | | Last modified: | 2024-09-13 | | Release date: | 2024-09-18 | | Identifier: | ~{N}-[4-[4-[3,5-bis(chloranyl)phenyl]piperazin-1-yl]sulfonylphenyl]-3-(methylsulfonylamino)benzamide |
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 | | A1H5P | | Name: | N-[4-[4-[3,5-bis(chloranyl)phenyl]piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide | | Formula: | C25 H26 Cl2 N4 O5 S2 | | SMILES: | CN(c1ccccc1C(=O)Nc2ccc(cc2)[S](=O)(=O)N3CCN(CC3)c4cc(Cl)cc(Cl)c4)[S](C)(=O)=O | | InChi: | InChI=1S/C25H26Cl2N4O5S2/c1-29(37(2,33)34)24-6-4-3-5-23(24)25(32)28-20-7-9-22(10-8-20)38(35,36)31-13-11-30(12-14-31)21-16-18(26)15-19(27)17-21/h3-10,15-17H,11-14H2,1-2H3,(H,28,32) | | Definition date: | 2024-03-04 | | Last modified: | 2024-09-13 | | Release date: | 2024-09-18 | | Identifier: | ~{N}-[4-[4-[3,5-bis(chloranyl)phenyl]piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide |
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 | | A1H6W | | Name: | Puerarin | | Formula: | C21 H20 O9 | | SMILES: | OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2c(O)ccc3C(=O)C(=COc23)c4ccc(O)cc4 | | InChi: | InChI=1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2/t14-,17-,18+,19-,21+/m1/s1 | | Synonyms: | Daidzein-8-C-glucoside | | Definition date: | 2024-03-26 | | Last modified: | 2024-09-13 | | Release date: | 2024-09-18 | | Identifier: | 8-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-3-(4-hydroxyphenyl)-7-oxidanyl-chromen-4-one |
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 | | A1IJ8 | | Name: | NVL-655 | | Formula: | C23 H22 Cl F N6 O | | SMILES: | CCn1nc(Cl)c2Cc3cn(C)nc3c4ccc(F)cc4[CH](C)Oc5cc(cnc5N)c12 | | InChi: | InChI=1S/C23H22ClFN6O/c1-4-31-21-13-8-19(23(26)27-10-13)32-12(2)17-9-15(25)5-6-16(17)20-14(11-30(3)28-20)7-18(21)22(24)29-31/h5-6,8-12H,4,7H2,1-3H3,(H2,26,27)/t12-/m1/s1 | | Synonyms: | (14R)-5-Chloro-7-ethyl-16-fluoro-2,14-dihydro-2,14-dimethyl-7H-8,12-metheno-4H-dipyrazolo[3,4-h:4',3'-k][2,5]benzoxaazacyclotetradecin-11-amine | | Definition date: | 2024-08-06 | | Last modified: | 2024-09-13 | | Release date: | 2024-09-18 |
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 | | A1L26 | | Name: | Pip2(20:4/18:0) | | Formula: | C47 H85 O19 P3 | | SMILES: | CCCCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCC=CCC=CCC=CCC=CCCCCC)CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O | | InChi: | InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17,19,22-23,27,29,39,42-47,50-52H,3-10,12,14-16,18,20-21,24-26,28,30-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11+,19-17+,23-22+,29-27+/t39-,42-,43+,44-,45+,46+,47+/m1/s1 | | Synonyms: | [(2R)-3-[hydroxy-[(1S,5S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxy-2-octadecanoyloxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate | | Definition date: | 2024-07-24 | | Last modified: | 2024-09-13 | | Release date: | 2024-09-18 | | Identifier: | [(2~{R})-2-octadecanoyloxy-3-[oxidanyl-[(1~{S},2~{R},3~{S},4~{S},5~{S},6~{R})-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] (5~{E},8~{E},11~{E},14~{E})-icosa-5,8,11,14-tetraenoate |
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 | | A1L27 | | Name: | milbemycin oxime | | Formula: | C32 H45 N O7 | | SMILES: | CC[CH]1O[C]2(CC[CH]1C)C[CH]3C[CH](CC=C(C)C[CH](C)C=CC=C4CO[CH]5C(=NO)C(=C[CH](C(=O)O3)[C]45O)C)O2 | | InChi: | InChI=1S/C32H45NO7/c1-6-27-21(4)12-13-31(40-27)17-25-16-24(39-31)11-10-20(3)14-19(2)8-7-9-23-18-37-29-28(33-36)22(5)15-26(30(34)38-25)32(23,29)35/h7-10,15,19,21,24-27,29,35-36H,6,11-14,16-18H2,1-5H3/b8-7+,20-10+,23-9+,33-28-/t19-,21-,24+,25-,26-,27+,29+,31+,32+/m0/s1 | | Synonyms: | (1~{R},4~{S},5'~{S},6~{R},6'~{R},8~{R},10~{E},10~{R},13~{R},14~{E},16~{E},21~{Z},24~{S})-6'-ethyl-21-hydroxyimino-5',11,13,22-tetramethyl-24-oxidanyl-spiro[3,7,19-trioxatetracyclo[15.6.1.1^{4,8}.1^{20,24}]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one | | Definition date: | 2024-07-24 | | Last modified: | 2024-09-13 | | Release date: | 2024-09-18 | | Identifier: | (1~{R},4~{S},5'~{S},6~{R},6'~{R},8~{R},10~{E},10~{R},13~{R},14~{E},16~{E},21~{Z},24~{S})-6'-ethyl-21-hydroxyimino-5',11,13,22-tetramethyl-24-oxidanyl-spiro[3,7,19-trioxatetracyclo[15.6.1.1^{4,8}.1^{20,24}]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one |
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 | | A1L2J | | Name: | ~{N}-[4-[1-[2-(6-methylpyridin-2-yl)ethyl]piperidin-4-yl]carbonylphenyl]methanesulfonamide | | Formula: | C21 H27 N3 O3 S | | SMILES: | Cc1cccc(CCN2CCC(CC2)C(=O)c3ccc(N[S](C)(=O)=O)cc3)n1 | | InChi: | InChI=1S/C21H27N3O3S/c1-16-4-3-5-19(22-16)12-15-24-13-10-18(11-14-24)21(25)17-6-8-20(9-7-17)23-28(2,26)27/h3-9,18,23H,10-15H2,1-2H3 | | Definition date: | 2024-06-25 | | Last modified: | 2024-09-13 | | Release date: | 2024-09-18 | | Identifier: | ~{N}-[4-[1-[2-(6-methylpyridin-2-yl)ethyl]piperidin-4-yl]carbonylphenyl]methanesulfonamide |
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 | | SD9 | | Name: | 2-cyano-1-methyl-3-[2-[(5-methyl-1~{H}-imidazol-4-yl)methylsulfanyl]ethyl]guanidine | | Formula: | C10 H16 N6 S | | SMILES: | CNC(NCCSCc1nc[nH]c1C)=NC#N | | InChi: | InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14) | | Synonyms: | cimetidine | | Definition date: | 2023-04-11 | | Last modified: | 2024-09-13 | | Release date: | 2024-09-18 | | Identifier: | 2-cyano-1-methyl-3-[2-[(5-methyl-1~{H}-imidazol-4-yl)methylsulfanyl]ethyl]guanidine |
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 | | V8I | | Name: | 2,4-dichloro-5-sulfamoylbenzoic acid | | Formula: | C7 H5 Cl2 N O4 S | | SMILES: | N[S](=O)(=O)c1cc(C(O)=O)c(Cl)cc1Cl | | InChi: | InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14) | | Synonyms: | 2,4-bis(chloranyl)-5-sulfamoyl-benzoic acid | | Definition date: | 2023-09-11 | | Last modified: | 2024-09-13 | | Release date: | 2024-09-18 | | Identifier: | 2,4-bis(chloranyl)-5-sulfamoyl-benzoic acid |
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 | | VZK | | Name: | ~{N},~{N}-dimethyl-6-[(~{E})-2-(1-methylpyridin-1-ium-4-yl)ethenyl]naphthalen-2-amine | | Formula: | C20 H21 N2 | | SMILES: | CN(C)c1ccc2cc(C=Cc3cc[n+](C)cc3)ccc2c1 | | InChi: | InChI=1S/C20H21N2/c1-21(2)20-9-8-18-14-17(6-7-19(18)15-20)5-4-16-10-12-22(3)13-11-16/h4-15H,1-3H3/q+1 | | Definition date: | 2023-09-21 | | Last modified: | 2024-09-13 | | Release date: | 2024-09-18 | | Identifier: | ~{N},~{N}-dimethyl-6-[(~{E})-2-(1-methylpyridin-1-ium-4-yl)ethenyl]naphthalen-2-amine |
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 | | W6U | | Name: | (2S,4R)-1-[(2S)-3,3-dimethyl-2-[3-[4-[4-[4-[[3-oxidanylidene-1-[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]-2-prop-2-enyl-pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butoxy]propanoylamino]butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide | | Formula: | C55 H70 N12 O7 S | | SMILES: | Cc1ncsc1c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(=O)[CH](NC(=O)CCOCCCCN4CCN(CC4)c5ccc(Nc6ncc7C(=O)N(CC=C)N(c8cccc(n8)C(C)(C)O)c7n6)cc5)C(C)(C)C)cc2 | | InChi: | InChI=1S/C55H70N12O7S/c1-8-23-66-51(71)42-33-57-53(62-49(42)67(66)45-13-11-12-44(60-45)55(6,7)73)59-39-18-20-40(21-19-39)64-27-25-63(26-28-64)24-9-10-29-74-30-22-46(69)61-48(54(3,4)5)52(72)65-34-41(68)31-43(65)50(70)56-32-37-14-16-38(17-15-37)47-36(2)58-35-75-47/h8,11-21,33,35,41,43,48,68,73H,1,9-10,22-32,34H2,2-7H3,(H,56,70)(H,61,69)(H,57,59,62)/t41-,43+,48-/m1/s1 | | Definition date: | 2023-09-21 | | Last modified: | 2024-09-13 | | Release date: | 2024-09-18 | | Identifier: | (2~{S},4~{R})-1-[(2~{S})-3,3-dimethyl-2-[3-[4-[4-[4-[[3-oxidanylidene-1-[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]-2-prop-2-enyl-pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butoxy]propanoylamino]butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
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 | | X3O | | Name: | 2-{bis[5-(trifluoromethyl)pyridin-2-yl]phosphoryl}-2-methyl-N-(2-{[2-(trifluoromethyl)phenyl]sulfanyl}ethyl)propanamide | | Formula: | C25 H21 F9 N3 O2 P S | | SMILES: | O=P(c1ccc(cn1)C(F)(F)F)(c1ccc(cn1)C(F)(F)F)C(C)(C)C(=O)NCCSc1ccccc1C(F)(F)F | | InChi: | InChI=1S/C25H21F9N3O2PS/c1-22(2,21(38)35-11-12-41-18-6-4-3-5-17(18)25(32,33)34)40(39,19-9-7-15(13-36-19)23(26,27)28)20-10-8-16(14-37-20)24(29,30)31/h3-10,13-14H,11-12H2,1-2H3,(H,35,38) | | Definition date: | 2023-05-31 | | Last modified: | 2024-09-13 | | Release date: | 2024-09-18 | | Identifier: | 2-{bis[5-(trifluoromethyl)pyridin-2-yl]phosphoryl}-2-methyl-N-(2-{[2-(trifluoromethyl)phenyl]sulfanyl}ethyl)propanamide |
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 | | A1L1A | | Name: | phytanoyl-CoA | | Formula: | C41 H74 N7 O17 P3 S | | SMILES: | CC(C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23 | | InChi: | InChI=1S/C41H74N7O17P3S/c1-26(2)11-8-12-27(3)13-9-14-28(4)15-10-16-29(5)21-32(50)69-20-19-43-31(49)17-18-44-39(53)36(52)41(6,7)23-62-68(59,60)65-67(57,58)61-22-30-35(64-66(54,55)56)34(51)40(63-30)48-25-47-33-37(42)45-24-46-38(33)48/h24-30,34-36,40,51-52H,8-23H2,1-7H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/t27-,28-,29-,30-,34+,35+,36+,40-/m1/s1 | | Synonyms: | S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (3S,7R,11R)-3,7,11,15-tetramethylhexadecanethioate | | Definition date: | 2024-04-25 | | Last modified: | 2024-09-13 | | Release date: | 2024-09-18 | | Identifier: | ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{R},4~{S},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (3~{R},7~{R},11~{R})-3,7,11,15-tetramethylhexadecanethioate |
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 | | MYR | | Name: | MYRISTIC ACID | | Formula: | C14 H28 O2 | | SMILES: | O=C(O)CCCCCCCCCCCCC | | InChi: | InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16) | | Definition date: | 1999-07-07 | | Last modified: | 2024-09-12 | | Identifier: | tetradecanoic acid |
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 | | SIR | | Name: | COBALT SIROHYDROCHLORIN | | Formula: | C42 H44 Co N4 O16 | | SMILES: | O=C(O)CC1=C(CCC(=O)O)c2cc3c(CCC(=O)O)c(CC(=O)O)c4cc5[n+]6c(cc7[n+]8=C(C=C1n2[Co+2]68n43)C(CCC(=O)O)C7(C)CC(=O)O)C(CCC(=O)O)C5(C)CC(=O)O | | InChi: | InChI=1S/C42H46N4O16.Co/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29 | | Definition date: | 2010-11-04 | | Last modified: | 2024-09-09 | | Identifier: | (SP-4-3)-[(2S,3S,17S,18S,22R,23S)-3,8,12,18-tetrakis(2-carboxyethyl)-2,7,13,17-tetrakis(carboxymethyl)-2,17-dimethyl-17,18-dihydro-2H,3H-porphine-22,23-diido-kappa~4~N~21~,N~22~,N~23~,N~24~]cobalt(4+) |
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 | | Y9W | | Name: | 2-[(~{E})-4-[6-(methylamino)pyridin-3-yl]but-1-en-3-ynyl]-1,3-benzothiazol-6-ol | | Formula: | C17 H13 N3 O S | | SMILES: | CNc1ccc(cn1)C#CC=Cc2sc3cc(O)ccc3n2 | | InChi: | InChI=1S/C17H13N3OS/c1-18-16-9-6-12(11-19-16)4-2-3-5-17-20-14-8-7-13(21)10-15(14)22-17/h3,5-11,21H,1H3,(H,18,19)/b5-3+ | | Definition date: | 2023-11-28 | | Last modified: | 2024-09-06 | | Release date: | 2024-09-11 | | Identifier: | 2-[(~{E})-4-[6-(methylamino)pyridin-3-yl]but-1-en-3-ynyl]-1,3-benzothiazol-6-ol |
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 | | YA9 | | Name: | 4-azanyl-3-[(~{E})-[4-[4-[(~{E})-(1-azanyl-4-sulfo-naphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid | | Formula: | C32 H24 N6 O6 S2 | | SMILES: | Nc1c(cc(c2ccccc12)[S](O)(=O)=O)N=Nc3ccc(cc3)c4ccc(cc4)N=Nc5cc(c6ccccc6c5N)[S](O)(=O)=O | | InChi: | InChI=1S/C32H24N6O6S2/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44)/b37-35+,38-36+ | | Definition date: | 2023-11-28 | | Last modified: | 2024-09-06 | | Release date: | 2024-09-11 | | Identifier: | 4-azanyl-3-[(~{E})-[4-[4-[(~{E})-(1-azanyl-4-sulfo-naphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid |
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 | | A1D82 | | Name: | 2-azanyl-3-(2,6-dimethyl-3-oxidanyl-phenyl)-5-(2-morpholin-4-ylpyridin-4-yl)benzamide | | Formula: | C24 H26 N4 O3 | | SMILES: | Cc1ccc(O)c(C)c1c2cc(cc(C(N)=O)c2N)c3ccnc(c3)N4CCOCC4 | | InChi: | InChI=1S/C24H26N4O3/c1-14-3-4-20(29)15(2)22(14)18-11-17(12-19(23(18)25)24(26)30)16-5-6-27-21(13-16)28-7-9-31-10-8-28/h3-6,11-13,29H,7-10,25H2,1-2H3,(H2,26,30) | | Definition date: | 2024-06-11 | | Last modified: | 2024-09-06 | | Release date: | 2024-09-11 | | Identifier: | 2-azanyl-3-(2,6-dimethyl-3-oxidanyl-phenyl)-5-(2-morpholin-4-ylpyridin-4-yl)benzamide |
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 | | A1D83 | | Name: | 2-azanyl-3-(2,6-dimethyl-3-oxidanyl-phenyl)-5-pyridin-4-yl-benzamide | | Formula: | C20 H19 N3 O2 | | SMILES: | Cc1ccc(O)c(C)c1c2cc(cc(C(N)=O)c2N)c3ccncc3 | | InChi: | InChI=1S/C20H19N3O2/c1-11-3-4-17(24)12(2)18(11)15-9-14(13-5-7-23-8-6-13)10-16(19(15)21)20(22)25/h3-10,24H,21H2,1-2H3,(H2,22,25) | | Definition date: | 2024-06-11 | | Last modified: | 2024-09-06 | | Release date: | 2024-09-11 | | Identifier: | 2-azanyl-3-(2,6-dimethyl-3-oxidanyl-phenyl)-5-pyridin-4-yl-benzamide |
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