 | | PVQ | | Name: | (S)-1-[2'-Amino-2'-carboxyethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2,4(1H,3H)-dione | | Formula: | C9 H12 N4 O4 | | SMILES: | N[CH](CN1C(=O)NC(=O)C2=C1CNC2)C(O)=O | | InChi: | InChI=1S/C9H12N4O4/c10-5(8(15)16)3-13-6-2-11-1-4(6)7(14)12-9(13)17/h5,11H,1-3,10H2,(H,15,16)(H,12,14,17)/t5-/m0/s1 | | Synonyms: | (2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)-6,7-dihydro-5~{H}-pyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid | | Definition date: | 2020-04-28 | | Last modified: | 2021-03-13 | | Release date: | 2020-06-03 | | Identifier: | (2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)-6,7-dihydro-5~{H}-pyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid |
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 | | SPX | | Name: | SPHINXOLIDE B | | Formula: | C53 H85 N O14 | | SMILES: | O=CN(C=CCC(OC)C(C(=O)CCC(C)C(OC)C(C)C1OC(=O)C=CC=C(C)CC(OC)CC2=CC(=O)OC(C(C(OC)CC(OC)C=CC(C)C(O)CC(OC)C=CC1C)C)C2O)C)C | | InChi: | InChI=1S/C53H85NO14/c1-33-17-15-19-48(58)67-52(39(7)51(66-14)35(3)22-25-44(56)37(5)46(64-12)18-16-26-54(8)32-55)36(4)21-24-41(61-9)30-45(57)34(2)20-23-42(62-10)31-47(65-13)38(6)53-50(60)40(29-49(59)68-53)28-43(27-33)63-11/h15-17,19-21,23-24,26,29,32,34-39,41-43,45-47,50-53,57,60H,18,22,25,27-28,30-31H2,1-14H3/b19-15-,23-20+,24-21+,26-16+,33-17+/t34-,35-,36-,37-,38+,39-,41-,42+,43+,45-,46+,47-,50-,51-,52-,53-/m0/s1 | | Synonyms: | N-((4R,5R,9S,10S,11S,E)-11-((3R,5Z,7Z,11S,12S,13Z,15R,17S,18S,19Z,21S,23S,24R,25S,29S)-17,29-DIHYDROXY-3,15,21,23-TETRAMETHOXY-5,12,18,24-TETRAMETHYL-9,27-DIOXO-10,26-DIOXABICYCLO[23.3.1]NONACOSA-1(28),5,7,13,19-PENTAEN-11-YL)-4,10-DIMETHOXY-5,9-DIMETHYL-6-OXODODEC-1-ENYL)-N-METHYLFORMAMIDE | | Definition date: | 2005-08-30 | | Last modified: | 2021-03-13 | | Identifier: | N-{(1E,4R,5R,9S,10S,11S)-11-[(3R,5E,7Z,11S,12S,13E,15R,17S,18S,19E,21S,23S,24R,25S,29S)-17,29-dihydroxy-3,15,21,23-tetramethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl]-4,10-dimethoxy-5,9-dimethyl-6-oxododec-1-en-1-yl}-N-methylformamide |
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 | | SPZ | | Name: | (3S,3'S)-N~1~,N~1~'-butane-1,4-diyldibutane-1,3-diamine | | Formula: | C12 H30 N4 | | SMILES: | NC(CCNCCCCNCCC(N)C)C | | InChi: | InChI=1S/C12H30N4/c1-11(13)5-9-15-7-3-4-8-16-10-6-12(2)14/h11-12,15-16H,3-10,13-14H2,1-2H3/t11-,12-/m0/s1 | | Synonyms: | bis-(3S,3'S)-methyl spermine | | Definition date: | 2007-12-19 | | Last modified: | 2021-03-13 | | Identifier: | (3S,3'S)-N~1~,N~1~'-butane-1,4-diyldibutane-1,3-diamine |
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 | | VJ6 | | Name: | valerjesomycin | | Formula: | C28 H41 N3 O9 | | SMILES: | O=C2Nc1cc(cc(OC)c1)COCC(OC)C(OC)C(C=C(C(OC(=O)N)C(OC(=O)N)CCC=C2C)C)C | | InChi: | InChI=1S/C28H41N3O9/c1-16-8-7-9-22(39-27(29)33)25(40-28(30)34)18(3)10-17(2)24(37-6)23(36-5)15-38-14-19-11-20(31-26(16)32)13-21(12-19)35-4/h8,10-13,17,22-25H,7,9,14-15H2,1-6H3,(H2,29,33)(H2,30,34)(H,31,32)/b16-8+,18-10+/t17-,22-,23-,24+,25-/m0/s1 | | Synonyms: | (4E,8S,9S,10E,12S,13R,14S)-13,14,20-trimethoxy-4,10,12-trimethyl-3-oxo-16-oxa-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaene-8,9-diyl dicarbamate | | Definition date: | 2013-03-22 | | Last modified: | 2021-03-13 | | Release date: | 2013-04-10 | | Identifier: | (4E,8S,9S,10E,12S,13R,14S)-13,14,20-trimethoxy-4,10,12-trimethyl-3-oxo-16-oxa-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaene-8,9-diyl dicarbamate |
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 | | SQA | | Name: | 2-AZASQUALENE | | Formula: | C29 H51 N | | SMILES: | C(=C(/CCCN(C)C)C)CCC(=C/CCC=C(/C)CCC=C(/C)CCC=C(/C)C)/C | | InChi: | InChI=1S/C29H51N/c1-25(2)15-11-18-28(5)21-12-19-26(3)16-9-10-17-27(4)20-13-22-29(6)23-14-24-30(7)8/h15-17,21-22H,9-14,18-20,23-24H2,1-8H3/b26-16+,27-17+,28-21+,29-22+ | | Synonyms: | (4E,8E,12Z,16Z)-N,N,4,8,13,17,21-HEPTAMETHYLDOCOSA-4,8,12,16,20-PENTAEN-1-AMINE | | Definition date: | 2003-08-27 | | Last modified: | 2021-03-13 | | Identifier: | (4E,8E,12E,16E)-N,N,4,8,13,17,21-heptamethyldocosa-4,8,12,16,20-pentaen-1-amine |
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 | | SBC | | Name: | 1-[4-(AMINOSULFONYL)PHENYL]-1,6-DIHYDROPYRAZOLO[3,4-E]INDAZOLE-3-CARBOXAMIDE | | Formula: | C15 H12 N6 O3 S | | SMILES: | O=S(=O)(N)c1ccc(cc1)n4nc(c3c4c2cnnc2cc3)C(=O)N | | InChi: | InChI=1S/C15H12N6O3S/c16-15(22)13-10-5-6-12-11(7-18-19-12)14(10)21(20-13)8-1-3-9(4-2-8)25(17,23)24/h1-7H,(H2,16,22)(H,18,19)(H2,17,23,24) | | Synonyms: | 1-(4-SULFAMOYL-PHENYL)-1,4,5,6-TETRAHYDRO-BENZO-DIPYRAZOLE-3-CARBOXYLIC ACID AMIDE | | Definition date: | 2005-02-23 | | Last modified: | 2021-03-13 | | Identifier: | 1-(4-sulfamoylphenyl)-1,6-dihydropyrazolo[3,4-e]indazole-3-carboxamide |
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 | | YR3 | | Name: | (2S)-3-{4-[1-ethyl-1-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)propyl]-2-methylphenoxy}propane-1,2-diol | | Formula: | C28 H42 O5 | | SMILES: | O(c1ccc(cc1C)C(c2ccc(OCC(O)C(C)(C)C)c(c2)C)(CC)CC)CC(O)CO | | InChi: | InChI=1S/C28H42O5/c1-8-28(9-2,21-10-12-24(19(3)14-21)32-17-23(30)16-29)22-11-13-25(20(4)15-22)33-18-26(31)27(5,6)7/h10-15,23,26,29-31H,8-9,16-18H2,1-7H3/t23-,26-/m0/s1 | | Synonyms: | (2S)-3-[4-(3-{4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl}pentan-3-yl)-2-methylphenoxy]propane-1,2-diol | | Definition date: | 2008-01-17 | | Last modified: | 2021-03-13 | | Identifier: | (2S)-3-{4-[1-ethyl-1-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)propyl]-2-methylphenoxy}propane-1,2-diol |
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 | | QBQ | | Name: | 7-deaza-GTP | | Formula: | C11 H17 N4 O14 P3 | | SMILES: | NC1=Nc2n(ccc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O | | InChi: | InChI=1S/C11H17N4O14P3/c12-11-13-8-4(9(18)14-11)1-2-15(8)10-7(17)6(16)5(27-10)3-26-31(22,23)29-32(24,25)28-30(19,20)21/h1-2,5-7,10,16-17H,3H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,12,13,14,18)/t5-,6-,7-,10-/m1/s1 | | Synonyms: | [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-4-oxidanylidene-3~{H}-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | | Definition date: | 2020-06-02 | | Last modified: | 2021-03-13 | | Release date: | 2020-12-09 | | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-4-oxidanylidene-3~{H}-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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 | | QQ4 | | Name: | Hexa Vinylpyrrolidone K15 | | Formula: | C36 H56 N6 O6 | | SMILES: | C(CC(CC(N1CCCC1=O)CC(N2C(CCC2)=O)CC(N3CCCC3=O)CC(C)N4CCCC4=O)N5CCCC5=O)N6CCCC6=O | | InChi: | InChI=1S/C36H56N6O6/c1-26(38-16-3-9-32(38)44)22-28(40-18-5-11-34(40)46)24-30(42-20-7-13-36(42)48)25-29(41-19-6-12-35(41)47)23-27(39-17-4-10-33(39)45)14-21-37-15-2-8-31(37)43/h26-30H,2-25H2,1H3/t26-,27-,28+,29-,30-/m1/s1 | | Synonyms: | 1,1',1'',1''',1'''',1'''''-[(3R,5R,7R,9S,11R)-dodecane-1,3,5,7,9,11-hexayl]hexa(pyrrolidin-2-one) | | Definition date: | 2019-12-06 | | Last modified: | 2021-03-13 | | Release date: | 2020-12-09 | | Identifier: | 1,1',1'',1''',1'''',1'''''-[(3R,5R,7R,9S,11R)-dodecane-1,3,5,7,9,11-hexayl]hexa(pyrrolidin-2-one) |
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 | | X8M | | Name: | IPRATROPIUM | | Formula: | C20 H30 N O3 | | SMILES: | O=C(OC2CC1[N+](C)(C(CC1)C2)C(C)C)C(c3ccccc3)CO | | InChi: | InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1/t16-,17+,18+,19-,21-/m0/s1 | | Synonyms: | (3-ENDO,8-ANTI)-3-{[(2R)-3-HYDROXY-2-PHENYLPROPANOYL]OXY}-8-METHYL-8-(1-METHYLETHYL)-8-AZONIABICYCLO[3.2.1]OCTANE | | Definition date: | 2010-03-10 | | Last modified: | 2021-03-13 | | Identifier: | (3-endo,8-anti)-3-{[(2R)-3-hydroxy-2-phenylpropanoyl]oxy}-8-methyl-8-(1-methylethyl)-8-azoniabicyclo[3.2.1]octane |
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 | | ZBT | | Name: | 2-[(1S)-1-methylpropyl]-4,5-dihydro-1,3-thiazole | | Formula: | C7 H13 N S | | SMILES: | CC[CH](C)C1=NCCS1 | | InChi: | InChI=1S/C7H13NS/c1-3-6(2)7-8-4-5-9-7/h6H,3-5H2,1-2H3/t6-/m0/s1 | | Synonyms: | 2-sec-butyl-4,5-dihydrothiazole | | Definition date: | 2009-12-16 | | Last modified: | 2021-03-13 | | Identifier: | 2-[(2S)-butan-2-yl]-4,5-dihydro-1,3-thiazole |
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 | | SQZ | | Name: | 5-[1-[(1S)-1-(4-fluorophenyl)ethyl]-[1,2,3]triazolo[4,5-c]quinolin-8-yl]-1,3-benzoxazole | | Formula: | C24 H16 F N5 O | | SMILES: | C[CH](n1nnc2cnc3ccc(cc3c12)c4ccc5ocnc5c4)c6ccc(F)cc6 | | InChi: | InChI=1S/C24H16FN5O/c1-14(15-2-6-18(25)7-3-15)30-24-19-10-16(4-8-20(19)26-12-22(24)28-29-30)17-5-9-23-21(11-17)27-13-31-23/h2-14H,1H3/t14-/m0/s1 | | Synonyms: | (S)-5-(1-(1-(4-fluorophenyl)ethyl)-1H-[1,2,3]triazolo[4,5-c]quinolin-8-yl)benzo[d]oxazole | | Definition date: | 2017-03-08 | | Last modified: | 2021-03-13 | | Release date: | 2017-08-16 | | Identifier: | 5-[1-[(1~{S})-1-(4-fluorophenyl)ethyl]-[1,2,3]triazolo[4,5-c]quinolin-8-yl]-1,3-benzoxazole |
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 | | SR0 | | Name: | N~1~-(3-azaniumylpropyl)butane-1,4-diaminium | | Formula: | C7 H22 N3 | | SMILES: | [NH3+]CCCC[NH2+]CCC[NH3+] | | InChi: | InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2/p+3 | | Synonyms: | spermidine, fully protonated form | | Definition date: | 2017-12-11 | | Last modified: | 2021-03-13 | | Release date: | 2017-12-20 | | Identifier: | N~1~-(3-azaniumylpropyl)butane-1,4-diaminium |
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 | | RX8 | | Name: | 1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol | | Formula: | C17 H22 N4 O2 | | SMILES: | n3c1ccccc1c2c(nc(n2CC(O)(C)C)COCC)c3N | | InChi: | InChI=1S/C17H22N4O2/c1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18/h5-8,22H,4,9-10H2,1-3H3,(H2,18,19) | | Synonyms: | R848 | | Definition date: | 2013-01-22 | | Last modified: | 2021-03-13 | | Release date: | 2013-04-03 | | Identifier: | 1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol |
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 | | AYH | | Name: | (1R,3S)-3-[1-(acetylamino)-1-methylethyl]-N-[(1S,2S,4R)-1-benzyl-5-(butylamino)-2-hydroxy-4-methyl-5-oxopentyl]cyclohexanecarboxamide | | Formula: | C29 H47 N3 O4 | | SMILES: | CCCCNC(=O)[CH](C)C[CH](O)[CH](Cc1ccccc1)NC(=O)[CH]2CCC[CH](C2)C(C)(C)NC(C)=O | | InChi: | InChI=1S/C29H47N3O4/c1-6-7-16-30-27(35)20(2)17-26(34)25(18-22-12-9-8-10-13-22)31-28(36)23-14-11-15-24(19-23)29(4,5)32-21(3)33/h8-10,12-13,20,23-26,34H,6-7,11,14-19H2,1-5H3,(H,30,35)(H,31,36)(H,32,33)/t20-,23-,24+,25+,26+/m1/s1 | | Synonyms: | (1R,3S)-3-(1-Acetylamino-1-methyl-ethyl)-cyclohexanecarboxylic acid ((1S,2S,4R)-1-benzyl-4-butylcarbamoyl-2-hydroxy-pentyl)-amide | | Definition date: | 2009-12-11 | | Last modified: | 2021-03-13 | | Identifier: | (1R,3S)-3-(2-acetamidopropan-2-yl)-N-[(2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenyl-hexan-2-yl]cyclohexane-1-carboxamide |
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 | | TYU | | Name: | TETRAHYDROURIDINE | | Formula: | C9 H16 N2 O6 | | SMILES: | O=C1N(CCC(O)N1)C2OC(C(O)C2O)CO | | InChi: | InChI=1S/C9H16N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4-8,12-15H,1-3H2,(H,10,16)/t4-,5-,6-,7-,8-/m1/s1 | | Synonyms: | 1-(3,4-DIHYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-2-YL)-4- HYDROXY-TETRAHYDRO-PYRIMIDIN-2-ONE | | Definition date: | 2004-11-11 | | Last modified: | 2021-03-13 | | Identifier: | (4R)-4-hydroxy-1-beta-D-ribofuranosyltetrahydropyrimidin-2(1H)-one |
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 | | QQX | | Name: | [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-oxidanyl-2-sulfanylidene-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methanol | | Formula: | C10 H12 N5 O5 P S | | SMILES: | S=P1(OC2C(OC(C2O1)CO)n3c4ncnc(N)c4nc3)O | | InChi: | InChI=1S/C10H12N5O5PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-16)18-10)19-21(17,22)20-7/h2-4,6-7,10,16H,1H2,(H,17,22)(H2,11,12,13)/t4-,6-,7-,10-,21+/m1/s1 | | Synonyms: | ADENOSINE-2',3'-CYCLOPHOSPHOROTHIOATE | | Definition date: | 2012-10-30 | | Last modified: | 2021-03-13 | | Release date: | 2013-07-10 | | Identifier: | (2S,3aR,4R,6R,6aR)-4-(6-amino-9H-purin-9-yl)-6-(hydroxymethyl)tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-2-ol 2-sulfide |
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 | | VKD | | Name: | Cobimetinib | | Formula: | C21 H21 F3 I N3 O2 | | SMILES: | C1CCCNC1C4(CN(C(c2c(c(c(cc2)F)F)Nc3ccc(I)cc3F)=O)C4)O | | InChi: | InChI=1S/C21H21F3IN3O2/c22-14-6-5-13(19(18(14)24)27-16-7-4-12(25)9-15(16)23)20(29)28-10-21(30,11-28)17-3-1-2-8-26-17/h4-7,9,17,26-27,30H,1-3,8,10-11H2/t17-/m1/s1 | | Synonyms: | {3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}{3-hydroxy-3-[(2R)-piperidin-2-yl]azetidin-1-yl}methanone | | Definition date: | 2020-08-21 | | Last modified: | 2021-03-13 | | Release date: | 2020-09-30 | | Identifier: | {3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}{3-hydroxy-3-[(2R)-piperidin-2-yl]azetidin-1-yl}methanone |
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 | | R5A | | Name: | RUTHENIUM WIRE, 5 CARBON LINKER | | Formula: | C45 H61 N7 O Ru | | SMILES: | O(c1cccc(N(C)C)c1)CCCCCC4=C3C=CC2=CC=CN8C2=C3N(C=C4)[Ru]86%11(N7C(C5N6CCCC5)CCCC7)N9CCC=CC9C%10N%11CCCC%10 | | InChi: | InChI=1S/C25H27N3O.C10H18N2.C10H16N2.Ru/c1-28(2)21-10-6-11-22(18-21)29-17-5-3-4-8-19-14-16-27-25-23(19)13-12-20-9-7-15-26-24(20)25 | | Synonyms: | BIS[1H,1'H-2,2'-BIPYRIDINATO(2-)-KAPPA~2~N~1~,N~1'~][3-{[5-(1,10-DIHYDRO-1,10-PHENANTHROLIN-4-YL-KAPPA~2~N~1~,N~10~)PENTYL]OXY}-N,N-DIMETHYLANILINATO(2-)]RUTHENIUM | | Definition date: | 2006-02-21 | | Last modified: | 2021-03-13 | | Identifier: | [(2R,2'S)-2,2'-bipiperidinato(2-)-kappa~2~N~1~,N~1'~][3-{[5-(1,10-dihydro-1,10-phenanthrolin-4-yl-kappa~2~N~1~,N~10~)pentyl]oxy}-N,N-dimethylanilinato(2-)][(6S)-6-[(2R)-piperidin-2-yl-kappaN]-1,2,3,6-tetrahydropyridinato(2-)-kappaN]ruthenium |
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 | | URC | | Name: | URIC ACID | | Formula: | C5 H4 N4 O3 | | SMILES: | O=C1C2=C(NC(=O)N1)NC(=O)N2 | | InChi: | InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12) | | Synonyms: | 7,9-DIHYDRO-1H-PURINE-2,6,8(3H)-TRIONE | | Definition date: | 2002-03-15 | | Last modified: | 2021-03-13 | | Identifier: | 7,9-dihydro-1H-purine-2,6,8(3H)-trione |
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 | | TZA | | Name: | TRANS-AMICLENOMYCIN | | Formula: | C10 H16 N2 O2 | | SMILES: | O=C(O)C(N)CCC1C=CC(N)C=C1 | | InChi: | InChI=1S/C10H16N2O2/c11-8-4-1-7(2-5-8)3-6-9(12)10(13)14/h1-2,4-5,7-9H,3,6,11-12H2,(H,13,14)/t7-,8-,9-/m0/s1 | | Synonyms: | 2-AMINO-4-(4-AMINO-CYCLOHEXA-2,5-DIENYL)-BUTYRIC ACID | | Definition date: | 2002-09-11 | | Last modified: | 2021-03-13 | | Identifier: | (2S)-2-amino-4-(trans-4-aminocyclohexa-2,5-dien-1-yl)butanoic acid |
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 | | AZ8 | | Name: | pyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione | | Formula: | C5 H3 N5 O2 | | SMILES: | c12c(ncnn1)C(=O)NC(=O)N2 | | InChi: | InChI=1S/C5H3N5O2/c11-4-2-3(8-5(12)9-4)10-7-1-6-2/h1H,(H2,8,9,10,11,12) | | Synonyms: | 1,6-didemethyltoxoflavin | | Definition date: | 2016-04-18 | | Last modified: | 2021-03-13 | | Release date: | 2016-05-04 | | Identifier: | pyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione |
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 | | TL1 | | Name: | 2,5-BIS-O-{3-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL | | Formula: | C20 H22 N4 O4 | | SMILES: | O(c1cc(C(=[N@H])N)ccc1)C3C4OCC(Oc2cc(C(=[N@H])N)ccc2)C4OC3 | | InChi: | InChI=1S/C20H22N4O4/c21-19(22)11-3-1-5-13(7-11)27-15-9-25-18-16(10-26-17(15)18)28-14-6-2-4-12(8-14)20(23)24/h1-8,15-18H,9-10H2,(H3,21,22)(H3,23,24)/t15-,16+,17-,18-/m1/s1 | | Synonyms: | 2,5-O,O-BIS-(3',3"-AMIDINOPHENYL)-1,4:3,6-DIANHYDRO-D-SORBITOL | | Definition date: | 2004-12-08 | | Last modified: | 2021-03-13 | | Identifier: | 1,4:3,6-dianhydro-2,5-bis-O-(3-carbamimidoylphenyl)-D-glucitol |
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 | | R5W | | Name: | 3-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide | | Formula: | C15 H18 N6 O | | SMILES: | Cc1nnc2n1cccc2NC(=O)CCC3(CCC#C)NN3 | | InChi: | InChI=1S/C15H18N6O/c1-3-4-8-15(19-20-15)9-7-13(22)16-12-6-5-10-21-11(2)17-18-14(12)21/h1,5-6,10,19-20H,4,7-9H2,2H3,(H,16,22) | | Synonyms: | 3-(3-but-3-ynyl-1,2-diaziridin-3-yl)-~{N}-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide | | Definition date: | 2020-09-02 | | Last modified: | 2021-03-13 | | Release date: | 2020-10-21 | | Identifier: | 3-(3-but-3-ynyl-1,2-diaziridin-3-yl)-~{N}-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide |
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 | | VL1 | | Name: | Gedatolisib | | Formula: | C32 H41 N9 O4 | | SMILES: | C(N1CCC(N(C)C)CC1)(c6ccc(NC(Nc2ccc(cc2)c4nc(N3CCOCC3)nc(n4)N5CCOCC5)=O)cc6)=O | | InChi: | InChI=1S/C32H41N9O4/c1-38(2)27-11-13-39(14-12-27)29(42)24-5-9-26(10-6-24)34-32(43)33-25-7-3-23(4-8-25)28-35-30(40-15-19-44-20-16-40)37-31(36-28)41-17-21-45-22-18-41/h3-10,27H,11-22H2,1-2H3,(H2,33,34,43) | | Synonyms: | N-{4-[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]phenyl}-N'-{4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl}urea | | Definition date: | 2020-08-26 | | Last modified: | 2021-03-13 | | Release date: | 2021-03-17 | | Identifier: | N-{4-[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]phenyl}-N'-{4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl}urea |
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