 | | Y8F | | Name: | [(2~{S})-1-dodecanoyloxy-3-phosphonooxy-propan-2-yl] tridecanoate | | Formula: | C28 H55 O8 P | | SMILES: | CCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCC)CO[P](O)(O)=O | | InChi: | InChI=1S/C28H55O8P/c1-3-5-7-9-11-13-15-17-19-21-23-28(30)36-26(25-35-37(31,32)33)24-34-27(29)22-20-18-16-14-12-10-8-6-4-2/h26H,3-25H2,1-2H3,(H2,31,32,33)/t26-/m0/s1 | | Definition date: | 2023-11-27 | | Last modified: | 2024-11-22 | | Release date: | 2024-11-27 | | Identifier: | [(2~{S})-1-dodecanoyloxy-3-phosphonooxy-propan-2-yl] tridecanoate |
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 | | A1ILQ | | Name: | (2~{R})-2-azanyl-3-[[3-(phenylmethyl)-2~{H}-thiophen-5-yl]carbonylamino]propanoic acid | | Formula: | C15 H18 N2 O3 S | | SMILES: | N[CH](CNC(=O)C1=[SH]CC(=C1)Cc2ccccc2)C(O)=O | | InChi: | InChI=1S/C15H18N2O3S/c16-12(15(19)20)8-17-14(18)13-7-11(9-21-13)6-10-4-2-1-3-5-10/h1-5,7,12,21H,6,8-9,16H2,(H,17,18)(H,19,20)/t12-/m1/s1 | | Definition date: | 2024-08-19 | | Last modified: | 2024-11-22 | | Release date: | 2024-11-27 | | Identifier: | (2~{R})-2-azanyl-3-[[3-(phenylmethyl)-2~{H}-thiophen-5-yl]carbonylamino]propanoic acid |
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 | | A1ILR | | Name: | (2~{R})-2-azanyl-3-(2~{H}-thiophen-5-ylcarbonylamino)propanoic acid | | Formula: | C8 H12 N2 O3 S | | SMILES: | N[CH](CNC(=O)C1=[SH]CC=C1)C(O)=O | | InChi: | InChI=1S/C8H12N2O3S/c9-5(8(12)13)4-10-7(11)6-2-1-3-14-6/h1-2,5,14H,3-4,9H2,(H,10,11)(H,12,13)/t5-/m1/s1 | | Definition date: | 2024-08-19 | | Last modified: | 2024-11-22 | | Release date: | 2024-11-27 | | Identifier: | (2~{R})-2-azanyl-3-(2~{H}-thiophen-5-ylcarbonylamino)propanoic acid |
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 | | A1IME | | Name: | (2~{R})-2-azanyl-3-[(7-methylthieno[3,2-b]pyridin-2-yl)carbonylamino]propanoic acid | | Formula: | C12 H13 N3 O3 S | | SMILES: | Cc1ccnc2cc(sc12)C(=O)NC[CH](N)C(O)=O | | InChi: | InChI=1S/C12H13N3O3S/c1-6-2-3-14-8-4-9(19-10(6)8)11(16)15-5-7(13)12(17)18/h2-4,7H,5,13H2,1H3,(H,15,16)(H,17,18)/t7-/m1/s1 | | Definition date: | 2024-08-21 | | Last modified: | 2024-11-22 | | Release date: | 2024-11-27 | | Identifier: | (2~{R})-2-azanyl-3-[(7-methylthieno[3,2-b]pyridin-2-yl)carbonylamino]propanoic acid |
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 | | A1BFC | | Name: | 3-(2-methylpropanamido)benzamide | | Formula: | C11 H14 N2 O2 | | SMILES: | O=C(Nc1cc(ccc1)C(N)=O)C(C)C | | InChi: | InChI=1S/C11H14N2O2/c1-7(2)11(15)13-9-5-3-4-8(6-9)10(12)14/h3-7H,1-2H3,(H2,12,14)(H,13,15) | | Definition date: | 2024-11-04 | | Last modified: | 2024-11-22 | | Release date: | 2024-11-27 | | Identifier: | 3-(2-methylpropanamido)benzamide |
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 | | VOA | | Name: | N-(6-chloropyridin-3-yl)-N~2~-(1,4-dihydro-2H-pyrano[3,4-c]quinolin-9-yl)-L-alaninamide | | Formula: | C20 H19 Cl N4 O2 | | SMILES: | Clc1ccc(cn1)NC(=O)C(C)Nc1cc2c3CCOCc3cnc2cc1 | | InChi: | InChI=1S/C20H19ClN4O2/c1-12(20(26)25-15-3-5-19(21)23-10-15)24-14-2-4-18-17(8-14)16-6-7-27-11-13(16)9-22-18/h2-5,8-10,12,24H,6-7,11H2,1H3,(H,25,26)/t12-/m0/s1 | | Definition date: | 2020-08-31 | | Last modified: | 2024-11-22 | | Release date: | 2024-11-27 | | Identifier: | N-(6-chloropyridin-3-yl)-N~2~-(1,4-dihydro-2H-pyrano[3,4-c]quinolin-9-yl)-L-alaninamide |
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 | | WAG | | Name: | (1S,2R)-2-[(2S)-2-azanyl-1-oxidanyl-1-oxidanylidene-3-(9H-xanthen-9-yl)propan-2-yl]cyclopropane-1-carboxylic acid | | Formula: | C20 H19 N O5 | | SMILES: | N[C](C[CH]1c2ccccc2Oc3ccccc13)([CH]4C[CH]4C(O)=O)C(O)=O | | InChi: | InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15+,20-/m0/s1 | | Definition date: | 2023-09-22 | | Last modified: | 2024-11-22 | | Release date: | 2024-11-27 | | Identifier: | (1~{S},2~{R})-2-[(2~{S})-2-azanyl-1-oxidanyl-1-oxidanylidene-3-(9~{H}-xanthen-9-yl)propan-2-yl]cyclopropane-1-carboxylic acid |
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 | | WTO | | Name: | methyl (2~{S})-1-[4-(propanoylamino)phenyl]sulfonylpyrrolidine-2-carboxylate | | Formula: | C15 H20 N2 O5 S | | SMILES: | CCC(=O)Nc1ccc(cc1)[S](=O)(=O)N2CCC[CH]2C(=O)OC | | InChi: | InChI=1S/C15H20N2O5S/c1-3-14(18)16-11-6-8-12(9-7-11)23(20,21)17-10-4-5-13(17)15(19)22-2/h6-9,13H,3-5,10H2,1-2H3,(H,16,18)/t13-/m0/s1 | | Definition date: | 2023-05-18 | | Last modified: | 2024-11-22 | | Release date: | 2024-11-27 | | Identifier: | methyl (2~{S})-1-[4-(propanoylamino)phenyl]sulfonylpyrrolidine-2-carboxylate |
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 | | OO0 | | Name: | ALLIIN | | Formula: | C6 H11 N O3 S | | SMILES: | N[CH](C[S](=O)CC=C)C(O)=O | | InChi: | InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-,11+/m0/s1 | | Synonyms: | 2-azanyl-3-prop-2-enylsulfinyl-propanoic acid | | Definition date: | 2024-01-22 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | 2-azanyl-3-prop-2-enylsulfinyl-propanoic acid |
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 | | WTK | | Name: | ~{N}-(3-methoxy-4-pyrrolidin-1-ylsulfonyl-phenyl)propanamide | | Formula: | C14 H20 N2 O4 S | | SMILES: | CCC(=O)Nc1ccc(c(OC)c1)[S](=O)(=O)N2CCCC2 | | InChi: | InChI=1S/C14H20N2O4S/c1-3-14(17)15-11-6-7-13(12(10-11)20-2)21(18,19)16-8-4-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H,15,17) | | Synonyms: | WT6 | | Definition date: | 2023-05-18 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | ~{N}-(3-methoxy-4-pyrrolidin-1-ylsulfonyl-phenyl)propanamide |
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 | | WTU | | Name: | ~{N}-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide | | Formula: | C13 H18 N2 O3 S | | SMILES: | CCC(=O)Nc1ccc(cc1)[S](=O)(=O)N2CCCC2 | | InChi: | InChI=1S/C13H18N2O3S/c1-2-13(16)14-11-5-7-12(8-6-11)19(17,18)15-9-3-4-10-15/h5-8H,2-4,9-10H2,1H3,(H,14,16) | | Synonyms: | WT6 | | Definition date: | 2023-05-18 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | ~{N}-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide |
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 | | XWD | | Name: | 4-[3-(4-fluoranyl-2~{H}-indazol-7-yl)-1,2,4-oxadiazol-5-yl]-1-(4-fluorophenyl)azepan-2-one | | Formula: | | | SMILES: | Fc1ccc(cc1)N2CCC[CH](CC2=O)c3onc(n3)c4ccc(F)c5c[nH]nc45 | | InChi: | InChI=1S/C21H17F2N5O2/c22-13-3-5-14(6-4-13)28-9-1-2-12(10-18(28)29)21-25-20(27-30-21)15-7-8-17(23)16-11-24-26-19(15)16/h3-8,11-12H,1-2,9-10H2,(H,24,26)/t12-/m1/s1 | | Definition date: | 2023-11-14 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | 4-[3-(4-fluoranyl-2~{H}-indazol-7-yl)-1,2,4-oxadiazol-5-yl]-1-(4-fluorophenyl)azepan-2-one |
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 | | R5B | | Name: | RUTHENIUM WIRE WC5 | | 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: | 2024-11-13 | | 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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 | | V3E | | Name: | (2~{S})-2-azanyl-3-(2-hydroxyphenyl)propanoic acid | | Formula: | C10 H13 N O3 | | SMILES: | COC(=O)[CH](N)Cc1ccccc1O | | InChi: | InChI=1S/C10H13NO3/c1-14-10(13)8(11)6-7-4-2-3-5-9(7)12/h2-5,8,12H,6,11H2,1H3/t8-/m0/s1 | | Definition date: | 2023-07-05 | | Last modified: | 2024-11-12 | | Release date: | 2023-08-23 | | Identifier: | methyl (2~{S})-2-azanyl-3-(2-hydroxyphenyl)propanoate |
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 | | A1D8Y | | Name: | GSK-1292263 | | Formula: | C23 H28 N4 O4 S | | SMILES: | CC(C)c1noc(n1)N2CCC(CC2)COc3ccc(nc3)c4ccc(cc4)[S](C)(=O)=O | | InChi: | InChI=1S/C23H28N4O4S/c1-16(2)22-25-23(31-26-22)27-12-10-17(11-13-27)15-30-19-6-9-21(24-14-19)18-4-7-20(8-5-18)32(3,28)29/h4-9,14,16-17H,10-13,15H2,1-3H3 | | Definition date: | 2024-06-07 | | Last modified: | 2024-11-11 | | Release date: | 2024-06-19 | | Identifier: | 5-[4-[[6-(4-methylsulfonylphenyl)pyridin-3-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole |
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 | | O6U | | Name: | Nirogacestat | | Formula: | C27 H41 F2 N5 O | | SMILES: | CCC[CH](N[CH]1CCc2cc(F)cc(F)c2C1)C(=O)Nc3cn(cn3)C(C)(C)CNCC(C)(C)C | | InChi: | InChI=1S/C27H41F2N5O/c1-7-8-23(32-20-10-9-18-11-19(28)12-22(29)21(18)13-20)25(35)33-24-14-34(17-31-24)27(5,6)16-30-15-26(2,3)4/h11-12,14,17,20,23,30,32H,7-10,13,15-16H2,1-6H3,(H,33,35)/t20-,23-/m0/s1 | | Definition date: | 2023-08-23 | | Last modified: | 2024-11-11 | | Release date: | 2024-08-14 | | Identifier: | (2~{S})-2-[[(2~{S})-6,8-bis(fluoranyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-~{N}-[1-[1-(2,2-dimethylpropylamino)-2-methyl-propan-2-yl]imidazol-4-yl]pentanamide |
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 | | OL9 | | Name: | MK-0752 | | Formula: | C21 H21 Cl F2 O4 S | | SMILES: | OC(=O)CC[CH]1CC[C](CC1)(c2cc(F)ccc2F)[S](=O)(=O)c3ccc(Cl)cc3 | | InChi: | InChI=1S/C21H21ClF2O4S/c22-15-2-5-17(6-3-15)29(27,28)21(18-13-16(23)4-7-19(18)24)11-9-14(10-12-21)1-8-20(25)26/h2-7,13-14H,1,8-12H2,(H,25,26)/t14-,21+ | | Definition date: | 2023-08-23 | | Last modified: | 2024-11-11 | | Release date: | 2024-08-14 | | Identifier: | 3-[4-[2,5-bis(fluoranyl)phenyl]-4-(4-chlorophenyl)sulfonyl-cyclohexyl]propanoic acid |
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 | | J3O | | Name: | Fenofibrate | | Formula: | C20 H21 Cl O4 | | SMILES: | CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2 | | InChi: | InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3 | | Definition date: | 2023-08-07 | | Last modified: | 2024-11-11 | | Release date: | 2024-02-14 | | Identifier: | propan-2-yl 2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoate |
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 | | VRW | | Name: | Nanvuranlat | | Formula: | C23 H19 Cl2 N3 O4 | | SMILES: | N[CH](Cc1cc(Cl)c(OCc2cc(N)cc3nc(oc23)c4ccccc4)c(Cl)c1)C(O)=O | | InChi: | InChI=1S/C23H19Cl2N3O4/c24-16-6-12(8-18(27)23(29)30)7-17(25)21(16)31-11-14-9-15(26)10-19-20(14)32-22(28-19)13-4-2-1-3-5-13/h1-7,9-10,18H,8,11,26-27H2,(H,29,30)/t18-/m0/s1 | | Synonyms: | (2~{S})-2-azanyl-3-[4-[(5-azanyl-2-phenyl-1,3-benzoxazol-7-yl)methoxy]-3,5-bis(chloranyl)phenyl]propanoic acid | | Definition date: | 2023-08-10 | | Last modified: | 2024-11-11 | | Release date: | 2024-07-17 | | Identifier: | (2~{S})-2-azanyl-3-[4-[(5-azanyl-2-phenyl-1,3-benzoxazol-7-yl)methoxy]-3,5-bis(chloranyl)phenyl]propanoic acid |
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 | | WJ9 | | Name: | Exarafenib | | Formula: | C26 H34 F3 N5 O3 | | SMILES: | C[CH](CO)Nc1cc(cc(n1)N2CCOCC2)c3cc(NC(=O)N4CC[CH](C4)CC(F)(F)F)ccc3C | | InChi: | InChI=1S/C26H34F3N5O3/c1-17-3-4-21(31-25(36)34-6-5-19(15-34)14-26(27,28)29)13-22(17)20-11-23(30-18(2)16-35)32-24(12-20)33-7-9-37-10-8-33/h3-4,11-13,18-19,35H,5-10,14-16H2,1-2H3,(H,30,32)(H,31,36)/t18-,19+/m1/s1 | | Synonyms: | (3~{S})-~{N}-[4-methyl-3-[2-morpholin-4-yl-6-[[(2~{R})-1-oxidanylpropan-2-yl]amino]pyridin-4-yl]phenyl]-3-[2,2,2-tris(fluoranyl)ethyl]pyrrolidine-1-carboxamide | | Definition date: | 2023-10-05 | | Last modified: | 2024-11-11 | | Release date: | 2024-01-24 | | Identifier: | (3~{S})-~{N}-[4-methyl-3-[2-morpholin-4-yl-6-[[(2~{R})-1-oxidanylpropan-2-yl]amino]pyridin-4-yl]phenyl]-3-[2,2,2-tris(fluoranyl)ethyl]pyrrolidine-1-carboxamide |
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 | | 6IL | | Name: | ~{N}-[(1~{R})-4-[4-[(6-fluoranyl-1,3-benzothiazol-5-yl)amino]thieno[2,3-d]pyrimidin-6-yl]cyclohex-3-en-1-yl]cyclopropanecarboxamide | | Formula: | C23 H20 F N5 O S2 | | SMILES: | Fc1cc2scnc2cc1Nc3ncnc4sc(cc34)C5=CC[CH](CC5)NC(=O)C6CC6 | | InChi: | InChI=1S/C23H20FN5OS2/c24-16-8-20-18(27-11-31-20)9-17(16)29-21-15-7-19(32-23(15)26-10-25-21)12-3-5-14(6-4-12)28-22(30)13-1-2-13/h3,7-11,13-14H,1-2,4-6H2,(H,28,30)(H,25,26,29)/t14-/m0/s1 | | Definition date: | 2023-02-09 | | Last modified: | 2024-11-08 | | Release date: | 2024-11-13 | | Identifier: | ~{N}-[(1~{R})-4-[4-[(6-fluoranyl-1,3-benzothiazol-5-yl)amino]thieno[2,3-d]pyrimidin-6-yl]cyclohex-3-en-1-yl]cyclopropanecarboxamide |
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 | | A1A2Y | | Name: | 5-methoxy-L-tryptophan | | Formula: | C12 H14 N2 O3 | | SMILES: | O=C(O)C(N)Cc1c[NH]c2ccc(cc21)OC | | InChi: | InChI=1S/C12H14N2O3/c1-17-8-2-3-11-9(5-8)7(6-14-11)4-10(13)12(15)16/h2-3,5-6,10,14H,4,13H2,1H3,(H,15,16)/t10-/m0/s1 | | Definition date: | 2024-08-20 | | Last modified: | 2024-11-01 | | Release date: | 2024-11-06 | | Identifier: | 5-methoxy-L-tryptophan |
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 | | A1A3U | | Name: | N-[(1S)-1-(pyridin-3-yl)ethyl]cyclopropanamine | | Formula: | C10 H14 N2 | | SMILES: | CC(NC1CC1)c1cccnc1 | | InChi: | InChI=1S/C10H14N2/c1-8(12-10-4-5-10)9-3-2-6-11-7-9/h2-3,6-8,10,12H,4-5H2,1H3/t8-/m0/s1 | | Definition date: | 2024-08-29 | | Last modified: | 2024-11-01 | | Release date: | 2024-11-06 | | Identifier: | N-[(1S)-1-(pyridin-3-yl)ethyl]cyclopropanamine |
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 | | A1A3V | | Name: | (2R)-1-(cyclohexylamino)propan-2-ol | | Formula: | C9 H19 N O | | SMILES: | CC(O)CNC1CCCCC1 | | InChi: | InChI=1S/C9H19NO/c1-8(11)7-10-9-5-3-2-4-6-9/h8-11H,2-7H2,1H3/t8-/m1/s1 | | Definition date: | 2024-08-29 | | Last modified: | 2024-11-01 | | Release date: | 2024-11-06 | | Identifier: | (2R)-1-(cyclohexylamino)propan-2-ol |
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 | | I3O | | Name: | tert-butyl 3-[(2S,5S,8S)-14-methoxy-2-(2-methylpropyl)-4,7-bis(oxidanylidene)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate | | Formula: | C26 H35 N3 O5 | | SMILES: | COc1ccc2c([nH]c3[CH](CC(C)C)N4[CH](Cc23)C(=O)N[CH](CCC(=O)OC(C)(C)C)C4=O)c1 | | InChi: | InChI=1S/C26H35N3O5/c1-14(2)11-20-23-17(16-8-7-15(33-6)12-19(16)27-23)13-21-24(31)28-18(25(32)29(20)21)9-10-22(30)34-26(3,4)5/h7-8,12,14,18,20-21,27H,9-11,13H2,1-6H3,(H,28,31)/t18-,20-,21-/m0/s1 | | Definition date: | 2023-07-26 | | Last modified: | 2024-11-01 | | Release date: | 2024-11-06 | | Identifier: | ~{tert}-butyl 3-[(2~{S},5~{S},8~{S})-14-methoxy-2-(2-methylpropyl)-4,7-bis(oxidanylidene)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate |
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