 | | FQF | | Name: | (2R)-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol | | Formula: | C18 H32 O3 | | SMILES: | CC(C)=CCCC(C)=CCCC(C)=CCOC[CH](O)CO | | InChi: | InChI=1S/C18H32O3/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-21-14-18(20)13-19/h7,9,11,18-20H,5-6,8,10,12-14H2,1-4H3/b16-9+,17-11+/t18-/m1/s1 | | Definition date: | 2020-06-15 | | Last modified: | 2021-04-23 | | Release date: | 2021-04-28 | | Identifier: | (2~{R})-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol |
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 | | P4Q | | Name: | pyrido[3,2-d]pyrimidin-4-amine | | Formula: | C7 H6 N4 | | SMILES: | Nc1ncnc2cccnc12 | | InChi: | InChI=1S/C7H6N4/c8-7-6-5(10-4-11-7)2-1-3-9-6/h1-4H,(H2,8,10,11) | | Definition date: | 2020-04-15 | | Last modified: | 2021-04-23 | | Release date: | 2021-04-28 | | Identifier: | pyrido[3,2-d]pyrimidin-4-amine |
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 | | P4W | | Name: | ~{N},~{N}-dimethylisoquinoline-5-sulfonamide | | Formula: | C11 H12 N2 O2 S | | SMILES: | CN(C)[S](=O)(=O)c1cccc2cnccc12 | | InChi: | InChI=1S/C11H12N2O2S/c1-13(2)16(14,15)11-5-3-4-9-8-12-7-6-10(9)11/h3-8H,1-2H3 | | Definition date: | 2020-04-15 | | Last modified: | 2021-04-23 | | Release date: | 2021-04-28 | | Identifier: | ~{N},~{N}-dimethylisoquinoline-5-sulfonamide |
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 | | P75 | | Name: | 4-[[1-[(2~{S},3~{S},5~{R})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methoxy]benzenesulfonamide | | Formula: | C19 H22 N6 O7 S | | SMILES: | CC1=CN([CH]2C[CH]([CH](CO)O2)n3cc(COc4ccc(cc4)[S](N)(=O)=O)nn3)C(=O)NC1=O | | InChi: | InChI=1S/C19H22N6O7S/c1-11-7-24(19(28)21-18(11)27)17-6-15(16(9-26)32-17)25-8-12(22-23-25)10-31-13-2-4-14(5-3-13)33(20,29)30/h2-5,7-8,15-17,26H,6,9-10H2,1H3,(H2,20,29,30)(H,21,27,28)/t15-,16+,17+/m0/s1 | | Definition date: | 2020-04-16 | | Last modified: | 2021-04-23 | | Release date: | 2021-04-28 | | Identifier: | 4-[[1-[(2~{S},3~{S},5~{R})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methoxy]benzenesulfonamide |
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 | | 03A | | Name: | (3S)-3-amino-N-cyclopropyl-2-oxohexanamide | | Formula: | C9 H16 N2 O2 | | SMILES: | O=C(C(=O)NC1CC1)C(N)CCC | | InChi: | InChI=1S/C9H16N2O2/c1-2-3-7(10)8(12)9(13)11-6-4-5-6/h6-7H,2-5,10H2,1H3,(H,11,13)/t7-/m0/s1 | | Definition date: | 2011-08-08 | | Last modified: | 2021-04-23 | | Release date: | 2012-08-31 | | Identifier: | (3S)-3-amino-N-cyclopropyl-2-oxohexanamide |
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 | | TKN | | Name: | methyl 2-methoxy-6-[(~{E})-8-(1,2,3,4-tetrahydroacridin-9-ylamino)oct-6-enyl]benzoate | | Formula: | C30 H36 N2 O3 | | SMILES: | COC(=O)c1c(CCCCCC=CCNc2c3CCCCc3nc4ccccc24)cccc1OC | | InChi: | InChI=1S/C30H36N2O3/c1-34-27-20-13-15-22(28(27)30(33)35-2)14-7-5-3-4-6-12-21-31-29-23-16-8-10-18-25(23)32-26-19-11-9-17-24(26)29/h6,8,10,12-13,15-16,18,20H,3-5,7,9,11,14,17,19,21H2,1-2H3,(H,31,32)/b12-6+ | | Definition date: | 2021-01-07 | | Last modified: | 2021-04-23 | | Release date: | 2021-04-28 | | Identifier: | methyl 2-methoxy-6-[(~{E})-8-(1,2,3,4-tetrahydroacridin-9-ylamino)oct-6-enyl]benzoate |
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 | | U5V | | Name: | 1-(2-fluorophenyl)methanamine | | Formula: | C7 H8 F N | | SMILES: | C(N)c1c(F)cccc1 | | InChi: | InChI=1S/C7H8FN/c8-7-4-2-1-3-6(7)5-9/h1-4H,5,9H2 | | Definition date: | 2020-04-23 | | Last modified: | 2021-04-23 | | Release date: | 2021-04-28 | | Identifier: | 1-(2-fluorophenyl)methanamine |
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 | | U5Y | | Name: | (12S,15S)-N-[(2-fluorophenyl)methyl]-10,13-dioxo-12-{2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl}-2-oxa-11,14-diazatricyclo[15.2.2.1~3,7~]docosa-1(19),3(22),4,6,17,20-hexaene-15-carboxamide | | Formula: | C39 H39 F N4 O5 | | SMILES: | C2(CCc1cccc(c1)Oc6ccc(CC(NC(C(N2)CC(N4CCCC4c3ccccc3)=O)=O)C(=O)NCc5c(F)cccc5)cc6)=O | | InChi: | InChI=1S/C39H39FN4O5/c40-32-13-5-4-11-29(32)25-41-38(47)33-23-27-15-18-30(19-16-27)49-31-12-6-8-26(22-31)17-20-36(45)42-34(39(48)43-33)24-37(46)44-21-7-14-35(44)28-9-2-1-3-10-28/h1-6,8-13,15-16,18-19,22,33-35H,7,14,17,20-21,23-25H2,(H,41,47)(H,42,45)(H,43,48)/t33-,34-,35+/m0/s1 | | Definition date: | 2020-04-23 | | Last modified: | 2021-04-23 | | Release date: | 2021-04-28 | | Identifier: | (12S,15S)-N-[(2-fluorophenyl)methyl]-10,13-dioxo-12-{2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl}-2-oxa-11,14-diazatricyclo[15.2.2.1~3,7~]docosa-1(19),3(22),4,6,17,20-hexaene-15-carboxamide |
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 | | PBW | | Name: | (1~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol | | Formula: | C7 H14 O6 | | SMILES: | OC[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C7H14O6/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h2-13H,1H2/t2-,3-,4+,5+,6-,7- | | Definition date: | 2020-04-20 | | Last modified: | 2021-04-23 | | Release date: | 2021-04-28 | | Identifier: | (1~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol |
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 | | UKQ | | Name: | (1R,6S)-5beta-(Hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2beta,3beta,4alpha-triol | | Formula: | C7 H12 O5 | | SMILES: | OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2O[CH]12 | | InChi: | InChI=1S/C7H12O5/c8-1-2-3(9)4(10)5(11)7-6(2)12-7/h2-11H,1H2/t2-,3-,4+,5+,6+,7-/m1/s1 | | Synonyms: | (1~{R},2~{S},3~{S},4~{R},5~{R},6~{S})-5-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol | | Definition date: | 2021-02-28 | | Last modified: | 2021-04-23 | | Release date: | 2021-04-28 | | Identifier: | (1~{R},2~{S},3~{S},4~{R},5~{R},6~{S})-5-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol |
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 | | UKT | | Name: | (1R,2R,3R,4S,5R)-4-(hydroxymethyl)cyclohexane-1,2,3,5-tetrol | | Formula: | C7 H14 O5 | | SMILES: | OC[CH]1[CH](O)C[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C7H14O5/c8-2-3-4(9)1-5(10)7(12)6(3)11/h3-12H,1-2H2/t3-,4+,5+,6+,7+/m0/s1 | | Synonyms: | (1~{R},2~{R},3~{R},4~{S},5~{R})-4-(hydroxymethyl)cyclohexane-1,2,3,5-tetrol | | Definition date: | 2021-02-28 | | Last modified: | 2021-04-23 | | Release date: | 2021-04-28 | | Identifier: | (1~{R},2~{R},3~{R},4~{S},5~{R})-4-(hydroxymethyl)cyclohexane-1,2,3,5-tetrol |
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 | | VHY | | Name: | (2R)-3-(phosphonooxy)propane-1,2-diyl dibutanoate | | Formula: | C11 H21 O8 P | | SMILES: | CCCC(OCC(OC(=O)CCC)COP(=O)(O)O)=O | | InChi: | InChI=1S/C11H21O8P/c1-3-5-10(12)17-7-9(8-18-20(14,15)16)19-11(13)6-4-2/h9H,3-8H2,1-2H3,(H2,14,15,16)/t9-/m1/s1 | | Definition date: | 2020-08-13 | | Last modified: | 2021-04-23 | | Release date: | 2021-04-28 | | Identifier: | (2R)-3-(phosphonooxy)propane-1,2-diyl dibutanoate |
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 | | V5E | | Name: | 5-Bromo-4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine | | Formula: | C20 H24 Br N7 O | | SMILES: | Brc1cnc(Nc2cccc(CN3CCOCC3)c2)nc1NCCc4[nH]cnc4 | | InChi: | InChI=1S/C20H24BrN7O/c21-18-12-24-20(27-19(18)23-5-4-17-11-22-14-25-17)26-16-3-1-2-15(10-16)13-28-6-8-29-9-7-28/h1-3,10-12,14H,4-9,13H2,(H,22,25)(H2,23,24,26,27) | | Synonyms: | 5-bromanyl-4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine | | Definition date: | 2021-04-15 | | Last modified: | 2021-04-23 | | Release date: | 2021-04-28 | | Identifier: | 5-bromanyl-~{N}4-[2-(1~{H}-imidazol-5-yl)ethyl]-~{N}2-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine |
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 | | WE4 | | Name: | 2,3,5,6-tetrabromobenzene-1,4-dicarboxylic acid | | Formula: | C8 H2 Br4 O4 | | SMILES: | C(O)(c1c(c(c(C(O)=O)c(Br)c1Br)Br)Br)=O | | InChi: | InChI=1S/C8H2Br4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16) | | Definition date: | 2020-10-20 | | Last modified: | 2021-04-23 | | Release date: | 2021-04-28 | | Identifier: | 2,3,5,6-tetrabromobenzene-1,4-dicarboxylic acid |
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 | | XVG | | Name: | 1-[(2S)-2-{[(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1H-pyrazole-3-carboxylic acid | | Formula: | C27 H27 Cl N8 O12 S | | SMILES: | CC(C(O)=O)(C)ON=C(c1nc(N)sc1Cl)C(NC(C=O)CN2NC(=C(C2)C(NCCN4C(=O)c3cc(O)c(cc3C4=O)O)=O)C(O)=O)=O | | InChi: | InChI=1S/C27H27ClN8O12S/c1-27(2,25(46)47)48-34-18(17-19(28)49-26(29)32-17)21(41)31-10(9-37)7-35-8-13(16(33-35)24(44)45)20(40)30-3-4-36-22(42)11-5-14(38)15(39)6-12(11)23(36)43/h5-6,9-10,33,38-39H,3-4,7-8H2,1-2H3,(H2,29,32)(H,30,40)(H,31,41)(H,44,45)(H,46,47)/b34-18-/t10-/m0/s1 | | Definition date: | 2021-01-15 | | Last modified: | 2021-04-23 | | Release date: | 2021-04-28 | | Identifier: | 1-[(2S)-2-{[(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1H-pyrazole-3-carboxylic acid |
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 | | E8U | | Name: | (4R)-4-oxidanyl-2-oxidanylidene-heptanedioic acid | | Formula: | C7 H10 O6 | | SMILES: | O=C(C(=O)O)CC(O)CCC(=O)O | | InChi: | InChI=1S/C7H10O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h4,8H,1-3H2,(H,10,11)(H,12,13)/t4-/m1/s1 | | Definition date: | 2012-08-07 | | Last modified: | 2021-04-20 | | Release date: | 2012-08-24 | | Identifier: | (4R)-4-hydroxy-2-oxoheptanedioic acid |
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 | | BPP | | Name: | 2-(4-benzylpiperidine-1-carbonyl)-1H-indole-5-carboximidamide | | Formula: | C22 H24 N4 O | | SMILES: | O=C(c1cc2cc(ccc2[NH]1)C(=N)N)N1CCC(Cc2ccccc2)CC1 | | InChi: | InChI=1S/C22H24N4O/c23-21(24)17-6-7-19-18(13-17)14-20(25-19)22(27)26-10-8-16(9-11-26)12-15-4-2-1-3-5-15/h1-7,13-14,16,25H,8-12H2,(H3,23,24) | | Synonyms: | 5-amidinoindole-4-benzylpiperidin | | Definition date: | 1999-10-11 | | Last modified: | 2021-04-19 | | Identifier: | 2-(4-benzylpiperidine-1-carbonyl)-1H-indole-5-carboximidamide |
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 | | Y5Y | | Name: | cyclopropyl[(3S)-3-{[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]amino}pyrrolidin-1-yl]methanone | | Formula: | C20 H24 N8 O | | SMILES: | CCn4c(nc1c4ncnc1NC3CCN(C(C2CC2)=O)C3)c5cnc(nc5)C | | InChi: | InChI=1S/C20H24N8O/c1-3-28-18(14-8-21-12(2)22-9-14)26-16-17(23-11-24-19(16)28)25-15-6-7-27(10-15)20(29)13-4-5-13/h8-9,11,13,15H,3-7,10H2,1-2H3,(H,23,24,25)/t15-/m0/s1 | | Definition date: | 2021-02-05 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | cyclopropyl[(3S)-3-{[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]amino}pyrrolidin-1-yl]methanone |
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 | | YO1 | | Name: | 4-(2-{2,4-diamino-5-[2-(4-{[(2E)-1,3-thiazolidin-2-ylidene]sulfamoyl}phenyl)hydrazinyl]phenyl}hydrazinyl)-N-[(2S)-1,3-thiazolidin-2-yl]benzene-1-sulfonamide | | Formula: | C24 H20 N10 O4 S4 | | SMILES: | O=S(=O)(Nc1nccs1)c1ccc(/N=N/c2cc(/N=N/c3ccc(cc3)S(=O)(=O)Nc3nccs3)c(N)cc2N)cc1 | | InChi: | InChI=1S/C24H20N10O4S4/c25-19-13-20(26)22(32-30-16-3-7-18(8-4-16)42(37,38)34-24-28-10-12-40-24)14-21(19)31-29-15-1-5-17(6-2-15)41(35,36)33-23-27-9-11-39-23/h1-14H,25-26H2,(H,27,33)(H,28,34)/b31-29+,32-30+ | | Synonyms: | NSC86314 | | Definition date: | 2021-03-15 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | 4,4'-{(4,6-diamino-1,3-phenylene)bis[(E)-diazene-2,1-diyl]}bis[N-(1,3-thiazol-2-yl)benzene-1-sulfonamide] |
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 | | YBG | | Name: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoinositol | | Formula: | C43 H81 O13 P | | SMILES: | CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCCC=CCCCCCCCC | | InChi: | InChI=1S/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35,38-43,46-50H,3-16,19-34H2,1-2H3,(H,51,52)/b18-17+/t35-,38-,39+,40-,41+,42+,43-/m0/s1 | | Definition date: | 2021-02-16 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | [(2~{S})-1-hexadecanoyloxy-3-[oxidanyl-[(2~{R},3~{S},5~{R},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] (~{E})-octadec-9-enoate |
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 | | YFG | | Name: | 7-(cyclopentylamino)-5-fluoro-2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}quinazolin-4(3H)-one | | Formula: | C20 H26 F N3 O2 S | | SMILES: | C1CC(CCC1SCC3=Nc2cc(cc(c2C(N3)=O)F)NC4CCCC4)O | | InChi: | InChI=1S/C20H26FN3O2S/c21-16-9-13(22-12-3-1-2-4-12)10-17-19(16)20(26)24-18(23-17)11-27-15-7-5-14(25)6-8-15/h9-10,12,14-15,22,25H,1-8,11H2,(H,23,24,26)/t14-,15- | | Definition date: | 2021-02-24 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | 7-(cyclopentylamino)-5-fluoro-2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}quinazolin-4(3H)-one |
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 | | YXM | | Name: | N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-5-(triphenyl-lambda~5~-phosphanyl)pentanamide | | Formula: | C32 H35 N2 O5 P | | SMILES: | [O-][N+](=O)c1ccc(cc1)C(O)C(CO)NC(=O)CCCCP(c1ccccc1)(c1ccccc1)c1ccccc1 | | InChi: | InChI=1S/C32H35N2O5P/c35-24-30(32(37)25-19-21-26(22-20-25)34(38)39)33-31(36)18-10-11-23-40(27-12-4-1-5-13-27,28-14-6-2-7-15-28)29-16-8-3-9-17-29/h1-9,12-17,19-22,30,32,35,37,40H,10-11,18,23-24H2,(H,33,36)/t30-,32-/m1/s1 | | Definition date: | 2021-04-05 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-5-(triphenyl-lambda~5~-phosphanyl)pentanamide |
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 | | FX6 | | Name: | (2S)-2-[(6-azanyl-9H-purin-8-yl)sulfanyl]butanoic acid | | Formula: | C9 H11 N5 O2 S | | SMILES: | CC[CH](Sc1[nH]c2ncnc(N)c2n1)C(O)=O | | InChi: | InChI=1S/C9H11N5O2S/c1-2-4(8(15)16)17-9-13-5-6(10)11-3-12-7(5)14-9/h3-4H,2H2,1H3,(H,15,16)(H3,10,11,12,13,14)/t4-/m0/s1 | | Definition date: | 2020-06-30 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | (2~{S})-2-[(6-azanyl-9~{H}-purin-8-yl)sulfanyl]butanoic acid |
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 | | FZU | | Name: | (2R,3R,4R,5S)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol | | Formula: | C6 H12 O6 | | SMILES: | OC[C]1(O)OC[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5+,6+/m0/s1 | | Definition date: | 2020-07-10 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | (2~{R},3~{R},4~{R},5~{S})-2-(hydroxymethyl)oxane-2,3,4,5-tetrol |
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 | | EZ3 | | Name: | (3R)-3-[(R)-[(2R,6S)-6-methyloxan-2-yl]-oxidanyl-methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one | | Formula: | C16 H20 O6 | | SMILES: | C[CH]1CCC[CH](O1)[CH](O)[CH]2Cc3cc(O)cc(O)c3C(=O)O2 | | InChi: | InChI=1S/C16H20O6/c1-8-3-2-4-12(21-8)15(19)13-6-9-5-10(17)7-11(18)14(9)16(20)22-13/h5,7-8,12-13,15,17-19H,2-4,6H2,1H3/t8-,12+,13+,15+/m0/s1 | | Definition date: | 2020-02-26 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | (3~{R})-3-[(~{R})-[(2~{R},6~{S})-6-methyloxan-2-yl]-oxidanyl-methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one |
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