 | | AV0 | | Name: | Lauryl Maltose Neopentyl Glycol | | Formula: | C47 H88 O22 | | SMILES: | C2(C(C(O)C(OC1OC(CO)C(O)C(O)C1O)C(CO)O2)O)OCC(CCCCCCCCCC)(CCCCCCCCCC)COC4OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C4O | | InChi: | InChI=1S/C47H88O22/c1-3-5-7-9-11-13-15-17-19-47(20-18-16-14-12-10-8-6-4-2,25-62-43-39(60)35(56)41(29(23-50)66-43)68-45-37(58)33(54)31(52)27(21-48)64-45)26-63-44-40(61)36(57)42(30(24-51)67-44)69-46-38(59)34(55)32(53)28(22-49)65-46/h27-46,48-61H,3-26H2,1-2H3/t27-,28-,29-,30-,31-,32-,33+,34+,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m1/s1 | | Synonyms: | 2,2-didecylpropane-1,3-bis-b-D-maltopyranoside | | Definition date: | 2018-11-21 | | Last modified: | 2023-12-01 | | Release date: | 2019-03-27 | | Identifier: | 2-decyl-2-{[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]methyl}dodecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside |
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 | | IT6 | | Name: | 2-chloranyl-~{N},9-dimethyl-purin-6-amine | | Formula: | C7 H8 Cl N5 | | SMILES: | CNc1nc(Cl)nc2n(C)cnc12 | | InChi: | InChI=1S/C7H8ClN5/c1-9-5-4-6(12-7(8)11-5)13(2)3-10-4/h3H,1-2H3,(H,9,11,12) | | Definition date: | 2023-08-03 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | 2-chloranyl-~{N},9-dimethyl-purin-6-amine |
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 | | ITJ | | Name: | 5-chloranyl-~{N},3-dimethyl-1~{H}-pyrazolo[4,3-d]pyrimidin-7-amine | | Formula: | C7 H8 Cl N5 | | SMILES: | CNc1nc(Cl)nc2c(C)n[nH]c12 | | InChi: | InChI=1S/C7H8ClN5/c1-3-4-5(13-12-3)6(9-2)11-7(8)10-4/h1-2H3,(H,12,13)(H,9,10,11) | | Definition date: | 2023-08-03 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | 5-chloranyl-~{N},3-dimethyl-1~{H}-pyrazolo[4,3-d]pyrimidin-7-amine |
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 | | IW0 | | Name: | ~{N}-[2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanesulfonamide | | Formula: | C14 H15 Cl N6 O2 S | | SMILES: | CNc1nc(Cl)nc2n(Cc3ccccc3N[S](C)(=O)=O)cnc12 | | InChi: | InChI=1S/C14H15ClN6O2S/c1-16-12-11-13(19-14(15)18-12)21(8-17-11)7-9-5-3-4-6-10(9)20-24(2,22)23/h3-6,8,20H,7H2,1-2H3,(H,16,18,19) | | Definition date: | 2023-08-03 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | ~{N}-[2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanesulfonamide |
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 | | IWF | | Name: | 2-chloranyl-9-[(2-methoxyphenyl)methyl]-~{N}-methyl-purin-6-amine | | Formula: | C14 H14 Cl N5 O | | SMILES: | CNc1nc(Cl)nc2n(Cc3ccccc3OC)cnc12 | | InChi: | InChI=1S/C14H14ClN5O/c1-16-12-11-13(19-14(15)18-12)20(8-17-11)7-9-5-3-4-6-10(9)21-2/h3-6,8H,7H2,1-2H3,(H,16,18,19) | | Definition date: | 2023-08-03 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | 2-chloranyl-9-[(2-methoxyphenyl)methyl]-~{N}-methyl-purin-6-amine |
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 | | J7L | | Name: | 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]-~{N}-methyl-benzamide | | Formula: | C15 H15 Cl N6 O | | SMILES: | CNC(=O)c1cccc(Cn2cnc3c(NC)nc(Cl)nc23)c1 | | InChi: | InChI=1S/C15H15ClN6O/c1-17-12-11-13(21-15(16)20-12)22(8-19-11)7-9-4-3-5-10(6-9)14(23)18-2/h3-6,8H,7H2,1-2H3,(H,18,23)(H,17,20,21) | | Definition date: | 2023-08-07 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]-~{N}-methyl-benzamide |
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 | | JBD | | Name: | ~{N}-[4-chloranyl-2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanesulfonamide | | Formula: | C14 H14 Cl2 N6 O2 S | | SMILES: | CNc1nc(Cl)nc2n(Cc3cc(Cl)ccc3N[S](C)(=O)=O)cnc12 | | InChi: | InChI=1S/C14H14Cl2N6O2S/c1-17-12-11-13(20-14(16)19-12)22(7-18-11)6-8-5-9(15)3-4-10(8)21-25(2,23)24/h3-5,7,21H,6H2,1-2H3,(H,17,19,20) | | Definition date: | 2023-08-07 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | ~{N}-[4-chloranyl-2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanesulfonamide |
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 | | JII | | Name: | 2-chloranyl-9-[(3-methoxyphenyl)methyl]-~{N}-methyl-purin-6-amine | | Formula: | C14 H14 Cl N5 O | | SMILES: | CNc1nc(Cl)nc2n(Cc3cccc(OC)c3)cnc12 | | InChi: | InChI=1S/C14H14ClN5O/c1-16-12-11-13(19-14(15)18-12)20(8-17-11)7-9-4-3-5-10(6-9)21-2/h3-6,8H,7H2,1-2H3,(H,16,18,19) | | Definition date: | 2023-08-07 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | 2-chloranyl-9-[(3-methoxyphenyl)methyl]-~{N}-methyl-purin-6-amine |
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 | | JO0 | | Name: | 2-chloranyl-9-[(3-chlorophenyl)methyl]-~{N}-cyclopropyl-7,8-dihydropurin-6-amine | | Formula: | C15 H15 Cl2 N5 | | SMILES: | Clc1cccc(CN2CNc3c(NC4CC4)nc(Cl)nc23)c1 | | InChi: | InChI=1S/C15H15Cl2N5/c16-10-3-1-2-9(6-10)7-22-8-18-12-13(19-11-4-5-11)20-15(17)21-14(12)22/h1-3,6,11,18H,4-5,7-8H2,(H,19,20,21) | | Definition date: | 2023-08-08 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | 2-chloranyl-9-[(3-chlorophenyl)methyl]-~{N}-cyclopropyl-7,8-dihydropurin-6-amine |
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 | | SVI | | Name: | (4S)-[1,2,4]triazolo[4,3-a]pyrazine | | Formula: | C5 H4 N4 | | SMILES: | c1cncc2nncn12 | | InChi: | InChI=1S/C5H4N4/c1-2-9-4-7-8-5(9)3-6-1/h1-4H | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (4S)-[1,2,4]triazolo[4,3-a]pyrazine |
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 | | U3R | | Name: | (3R,4S)-1-acetyl-4-phenylpyrrolidine-3-carboxylic acid | | Formula: | C13 H15 N O3 | | SMILES: | OC(=O)C1CN(CC1c1ccccc1)C(=O)C | | InChi: | InChI=1S/C13H15NO3/c1-9(15)14-7-11(12(8-14)13(16)17)10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3,(H,16,17)/t11-,12+/m1/s1 | | Definition date: | 2023-08-29 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (3R,4S)-1-acetyl-4-phenylpyrrolidine-3-carboxylic acid |
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 | | SVU | | Name: | 1-(1-ethyl-1H-pyrazol-3-yl)-N-methylmethanamine | | Formula: | C7 H13 N3 | | SMILES: | CCn1ccc(CNC)n1 | | InChi: | InChI=1S/C7H13N3/c1-3-10-5-4-7(9-10)6-8-2/h4-5,8H,3,6H2,1-2H3 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 1-(1-ethyl-1H-pyrazol-3-yl)-N-methylmethanamine |
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 | | O0H | | Name: | ~{N}-[6-ethoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide | | Formula: | C23 H25 F3 N6 O3 | | SMILES: | CCOc1cc2nn(CC(=O)N3CCN(C)CC3)cc2cc1NC(=O)c4cccc(n4)C(F)(F)F | | InChi: | InChI=1S/C23H25F3N6O3/c1-3-35-19-12-17-15(13-32(29-17)14-21(33)31-9-7-30(2)8-10-31)11-18(19)28-22(34)16-5-4-6-20(27-16)23(24,25)26/h4-6,11-13H,3,7-10,14H2,1-2H3,(H,28,34) | | Definition date: | 2022-08-25 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | ~{N}-[6-ethoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide |
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 | | SW9 | | Name: | 4-{[(1M)-buta-1,2-dien-1-yl](methyl)amino}-1lambda~6~-thiane-1,1-dione | | Formula: | C10 H17 N O2 S | | SMILES: | O=S1(=O)CCC(CC1)N(C)C=C=CC | | InChi: | InChI=1S/C10H17NO2S/c1-3-4-7-11(2)10-5-8-14(12,13)9-6-10/h3,7,10H,5-6,8-9H2,1-2H3 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 4-{[(1M)-buta-1,2-dien-1-yl](methyl)amino}-1lambda~6~-thiane-1,1-dione |
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 | | U4C | | Name: | (2S)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one | | Formula: | C12 H14 N2 O | | SMILES: | O=C1Nc2ccccc2CC21CCCN2 | | InChi: | InChI=1S/C12H14N2O/c15-11-12(6-3-7-13-12)8-9-4-1-2-5-10(9)14-11/h1-2,4-5,13H,3,6-8H2,(H,14,15)/t12-/m0/s1 | | Definition date: | 2023-08-29 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (2S)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one |
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 | | YWK | | Name: | pentafluoropropanoic acid | | Formula: | C3 H F5 O2 | | SMILES: | FC(F)(F)C(F)(F)C(=O)O | | InChi: | InChI=1S/C3HF5O2/c4-2(5,1(9)10)3(6,7)8/h(H,9,10) | | Definition date: | 2023-06-22 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | pentafluoropropanoic acid |
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 | | QWF | | Name: | (2~{S})-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-6-[[(~{E},2~{S})-5-phenyl-2-[[4-[[2-[4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoylamino]methyl]cyclohexyl]carbonylamino]pent-4-enoyl]amino]hexan-2-yl]carbamoylamino]pentanedioic acid | | Formula: | C47 H71 N9 O16 | | SMILES: | OC(=O)CC[CH](NC(=O)N[CH](CCCCNC(=O)[CH](CC=Cc1ccccc1)NC(=O)[CH]2CC[CH](CC2)CNC(=O)CN3CCN(CCN(CCN(CC3)CC(O)=O)CC(O)=O)CC(O)=O)C(O)=O)C(O)=O | | InChi: | InChI=1S/C47H71N9O16/c57-38(28-53-19-21-54(29-40(60)61)23-25-56(31-42(64)65)26-24-55(22-20-53)30-41(62)63)49-27-33-12-14-34(15-13-33)43(66)50-35(11-6-9-32-7-2-1-3-8-32)44(67)48-18-5-4-10-36(45(68)69)51-47(72)52-37(46(70)71)16-17-39(58)59/h1-3,6-9,33-37H,4-5,10-31H2,(H,48,67)(H,49,57)(H,50,66)(H,58,59)(H,60,61)(H,62,63)(H,64,65)(H,68,69)(H,70,71)(H2,51,52,72)/b9-6+/t33-,34-,35-,36-,37-/m0/s1 | | Definition date: | 2022-11-15 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (2~{S})-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-6-[[(~{E},2~{S})-5-phenyl-2-[[4-[[2-[4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoylamino]methyl]cyclohexyl]carbonylamino]pent-4-enoyl]amino]hexan-2-yl]carbamoylamino]pentanedioic acid |
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 | | U4Z | | Name: | gamma-Carotene | | Formula: | C40 H56 | | SMILES: | CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C | | InChi: | InChI=1S/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-27,29-30H,13,17,21,28,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+ | | Synonyms: | 2-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E},19~{E})-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,3-trimethyl-cyclohexene | | Definition date: | 2023-05-15 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-22 | | Identifier: | 2-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E},19~{E})-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,3-trimethyl-cyclohexene |
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 | | SX9 | | Name: | 1-{4-[(1E)-3-phenylprop-1-en-1-yl]piperazin-1-yl}ethan-1-one | | Formula: | C15 H20 N2 O | | SMILES: | O=C(C)N1CCN(/C=C/Cc2ccccc2)CC1 | | InChi: | InChI=1S/C15H20N2O/c1-14(18)17-12-10-16(11-13-17)9-5-8-15-6-3-2-4-7-15/h2-7,9H,8,10-13H2,1H3/b9-5+ | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 1-{4-[(1E)-3-phenylprop-1-en-1-yl]piperazin-1-yl}ethan-1-one |
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 | | QYF | | Name: | (2~{S})-2-[[(2~{S})-6-[[(2~{S})-3-naphthalen-2-yl-2-[[4-[[2-[(11~{Z})-4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-11-en-1-yl]ethanoylamino]methyl]cyclohexyl]carbonylamino]propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid | | Formula: | C49 H69 N9 O16 | | SMILES: | OC(=O)CC[CH](NC(=O)N[CH](CCCCNC(=O)[CH](Cc1ccc2ccccc2c1)NC(=O)[CH]3CC[CH](CC3)CNC(=O)CN4CCN(CCN(CCN(CC(O)=O)C=C4)CC(O)=O)CC(O)=O)C(O)=O)C(O)=O | | InChi: | InChI=1S/C49H69N9O16/c59-40(28-55-17-19-56(29-42(62)63)21-23-58(31-44(66)67)24-22-57(20-18-55)30-43(64)65)51-27-32-8-12-35(13-9-32)45(68)52-39(26-33-10-11-34-5-1-2-6-36(34)25-33)46(69)50-16-4-3-7-37(47(70)71)53-49(74)54-38(48(72)73)14-15-41(60)61/h1-2,5-6,10-11,17,19,25,32,35,37-39H,3-4,7-9,12-16,18,20-24,26-31H2,(H,50,69)(H,51,59)(H,52,68)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H,70,71)(H,72,73)(H2,53,54,74)/b19-17-/t32-,35-,37-,38-,39-/m0/s1 | | Definition date: | 2022-11-16 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (2~{S})-2-[[(2~{S})-6-[[(2~{S})-3-naphthalen-2-yl-2-[[4-[[2-[(11~{Z})-4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-11-en-1-yl]ethanoylamino]methyl]cyclohexyl]carbonylamino]propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid |
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 | | SYX | | Name: | (4-methylpiperazin-1-yl)[(2R)-oxolan-2-yl]methanone | | Formula: | C10 H18 N2 O2 | | SMILES: | O=C(N1CCN(C)CC1)C1CCCO1 | | InChi: | InChI=1S/C10H18N2O2/c1-11-4-6-12(7-5-11)10(13)9-3-2-8-14-9/h9H,2-8H2,1H3/t9-/m1/s1 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (4-methylpiperazin-1-yl)[(2R)-oxolan-2-yl]methanone |
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 | | KG0 | | Name: | (4R)-N-[(1R)-1-[4-(cyclopropylmethoxy)-6-oxidanylidene-pyran-2-yl]butyl]-4-methyl-2-[(E)-C-methyl-N-oxidanyl-carbonimidoyl]-5H-1,3-thiazole-4-carboxamide | | Formula: | C20 H27 N3 O5 S | | SMILES: | CCC[CH](NC(=O)[C]1(C)CSC(=N1)C(C)=NO)C2=CC(=CC(=O)O2)OCC3CC3 | | InChi: | InChI=1S/C20H27N3O5S/c1-4-5-15(16-8-14(9-17(24)28-16)27-10-13-6-7-13)21-19(25)20(3)11-29-18(22-20)12(2)23-26/h8-9,13,15,26H,4-7,10-11H2,1-3H3,(H,21,25)/b23-12+/t15-,20+/m1/s1 | | Definition date: | 2022-05-25 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (4~{R})-~{N}-[(1~{R})-1-[4-(cyclopropylmethoxy)-6-oxidanylidene-pyran-2-yl]butyl]-4-methyl-2-[(~{E})-~{C}-methyl-~{N}-oxidanyl-carbonimidoyl]-5~{H}-1,3-thiazole-4-carboxamide |
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 | | UYX | | Name: | 3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-1~{H}-quinazoline-2,4-dione | | Formula: | C22 H22 F N3 O3 | | SMILES: | Fc1ccc(cc1)C(=O)C2CCN(CC2)CCN3C(=O)Nc4ccccc4C3=O | | InChi: | InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29) | | Definition date: | 2023-06-27 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-1~{H}-quinazoline-2,4-dione |
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 | | SZX | | Name: | (2R)-N-(pyridin-2-yl)-1,4-dioxane-2-carboxamide | | Formula: | C10 H12 N2 O3 | | SMILES: | O=C(Nc1ccccn1)C1COCCO1 | | InChi: | InChI=1S/C10H12N2O3/c13-10(8-7-14-5-6-15-8)12-9-3-1-2-4-11-9/h1-4,8H,5-7H2,(H,11,12,13)/t8-/m1/s1 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (2R)-N-(pyridin-2-yl)-1,4-dioxane-2-carboxamide |
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 | | T0O | | Name: | 5-chloro-1H-imidazole | | Formula: | C3 H3 Cl N2 | | SMILES: | Clc1cnc[NH]1 | | InChi: | InChI=1S/C3H3ClN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6) | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 5-chloro-1H-imidazole |
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