 | ZTG | Name: | (betaR)-3-chloro-beta-{[tri(propan-2-yl)silyl]oxy}-D-tyrosine | Formula: | C18 H30 Cl N O4 Si | SMILES: | Oc1ccc(cc1Cl)C(O[Si](C(C)C)(C(C)C)C(C)C)C(N)C(=O)O | InChi: | InChI=1S/C18H30ClNO4Si/c1-10(2)25(11(3)4,12(5)6)24-17(16(20)18(22)23)13-7-8-15(21)14(19)9-13/h7-12,16-17,21H,20H2,1-6H3,(H,22,23)/t16-,17-/m1/s1 | Definition date: | 2023-03-30 | Last modified: | 2024-09-27 | Release date: | 2023-06-21 | Identifier: | (betaR)-3-chloro-beta-{[tri(propan-2-yl)silyl]oxy}-D-tyrosine |
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 | XL5 | Name: | N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-fluorophenyl]propanamide | Formula: | C22 H21 Cl2 F N4 O4 | SMILES: | c1(c(c(c(Cl)c(OC)c1)COc3cnc(Nc2c(cccc2NC(CC)=O)F)nc3)Cl)OC | InChi: | InChI=1S/C22H21Cl2FN4O4/c1-4-18(30)28-15-7-5-6-14(25)21(15)29-22-26-9-12(10-27-22)33-11-13-19(23)16(31-2)8-17(32-3)20(13)24/h5-10H,4,11H2,1-3H3,(H,28,30)(H,26,27,29) | Definition date: | 2017-11-05 | Last modified: | 2024-09-27 | Release date: | 2019-07-10 | Identifier: | N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-fluorophenyl]propanamide |
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 | UPG | Name: | URIDINE-5'-DIPHOSPHATE-GLUCOSE | Formula: | C15 H24 N2 O17 P2 | SMILES: | O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(O)C3O)CO)O)O | InChi: | InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1 | Synonyms: | URIDINE-5'-MONOPHOSPHATE GLUCOPYRANOSYL-MONOPHOSPHATE ESTER | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name) |
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 | SAL | Name: | 2-HYDROXYBENZOIC ACID | Formula: | C7 H6 O3 | SMILES: | O=C(O)c1ccccc1O | InChi: | InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10) | Synonyms: | SALICYLIC ACID | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | 2-hydroxybenzoic acid |
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 | VXA | Name: | METHYLPHOSPHONIC ACID ESTER GROUP | Formula: | C H4 O2 P | SMILES: | [O-]P(=O)C | InChi: | InChI=1S/CH5O2P/c1-4(2)3/h4H,1H3,(H,2,3)/p-1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | methylphosphinate |
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 | XL6 | Name: | N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-methylphenyl]propanamide | Formula: | C23 H24 Cl2 N4 O4 | SMILES: | c1(OC)c(Cl)c(c(c(c1)OC)Cl)COc2cnc(nc2)Nc3c(NC(CC)=O)cccc3C | InChi: | InChI=1S/C23H24Cl2N4O4/c1-5-19(30)28-16-8-6-7-13(2)22(16)29-23-26-10-14(11-27-23)33-12-15-20(24)17(31-3)9-18(32-4)21(15)25/h6-11H,5,12H2,1-4H3,(H,28,30)(H,26,27,29) | Definition date: | 2017-10-28 | Last modified: | 2024-09-27 | Release date: | 2019-07-10 | Identifier: | N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-methylphenyl]propanamide |
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 | ZTK | Name: | (2S)-2-amino-3-cyanopropanoic acid | Formula: | C4 H6 N2 O2 | SMILES: | N#CCC(N)C(=O)O | InChi: | InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 | Definition date: | 2023-03-30 | Last modified: | 2024-09-27 | Release date: | 2023-06-21 | Identifier: | (2S)-2-amino-3-cyanopropanoic acid |
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 | PVN | Name: | PHYCOVIOLOBILIN | Formula: | C33 H40 N4 O6 | SMILES: | CCC1=C(C)C(=O)N[CH]1Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C | InChi: | InChI=1S/C33H40N4O7/c1-7-20-15(2)25(36-33(20)44)12-23-16(3)21(8-10-29(39)40)26(34-23)14-27-22(9-11-30(41)42)17(4)24(35-27)13-28-31(19(6)38)18(5)32(43)37-28/h12,14,19,28,35,38H,7-11,13H2,1-6H3,(H,36,44)(H,37,43)(H,39,40)(H,41,42)/b25-12+,26-14-/t19?,28-/m1/s1 | Synonyms: | Phycoviolobilin, bound form | Definition date: | 2006-11-02 | Last modified: | 2024-09-27 | Identifier: | 3-[5-[[(2R)-3-ethyl-4-methyl-5-oxidanylidene-1,2-dihydropyrrol-2-yl]methyl]-2-[(Z)-[5-[(E)-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid |
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 | XL7 | Name: | N-[3-chloro-2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-5-fluorophenyl]propanamide | Formula: | C22 H20 Cl3 F N4 O4 | SMILES: | c1(cc(c(c(c1Cl)COc2cnc(nc2)Nc3c(NC(CC)=O)cc(cc3Cl)F)Cl)OC)OC | InChi: | InChI=1S/C22H20Cl3FN4O4/c1-4-18(31)29-15-6-11(26)5-14(23)21(15)30-22-27-8-12(9-28-22)34-10-13-19(24)16(32-2)7-17(33-3)20(13)25/h5-9H,4,10H2,1-3H3,(H,29,31)(H,27,28,30) | Definition date: | 2017-11-05 | Last modified: | 2024-09-27 | Release date: | 2019-07-10 | Identifier: | N-[3-chloro-2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-5-fluorophenyl]propanamide |
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 | XL8 | Name: | N-[3,5-dichloro-2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)phenyl]propanamide | Formula: | C22 H20 Cl4 N4 O4 | SMILES: | c1(c(Cl)c(c(c(c1)OC)Cl)COc3cnc(Nc2c(cc(cc2NC(CC)=O)Cl)Cl)nc3)OC | InChi: | InChI=1S/C22H20Cl4N4O4/c1-4-18(31)29-15-6-11(23)5-14(24)21(15)30-22-27-8-12(9-28-22)34-10-13-19(25)16(32-2)7-17(33-3)20(13)26/h5-9H,4,10H2,1-3H3,(H,29,31)(H,27,28,30) | Definition date: | 2017-11-05 | Last modified: | 2024-09-27 | Release date: | 2019-07-10 | Identifier: | N-[3,5-dichloro-2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)phenyl]propanamide |
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 | UPJ | Name: | 1-acetyl-N-methyl-N-phenylpiperidine-4-carboxamide | Formula: | C15 H20 N2 O2 | SMILES: | N(c1ccccc1)(C)C(C2CCN(C(C)=O)CC2)=O | InChi: | InChI=1S/C15H20N2O2/c1-12(18)17-10-8-13(9-11-17)15(19)16(2)14-6-4-3-5-7-14/h3-7,13H,8-11H2,1-2H3 | Definition date: | 2020-05-26 | Last modified: | 2024-09-27 | Release date: | 2020-06-10 | Identifier: | 1-acetyl-N-methyl-N-phenylpiperidine-4-carboxamide |
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 | XL9 | Name: | N-[(3S,4S)-3-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}oxan-4-yl]propanamide | Formula: | C24 H26 Cl2 N4 O4 | SMILES: | c4(c(Cl)c(c1ccc3c(c1)cnc(NC2COCCC2NC(CC)=O)n3)c(c(c4)OC)Cl)OC | InChi: | InChI=1S/C24H26Cl2N4O4/c1-4-20(31)28-16-7-8-34-12-17(16)30-24-27-11-14-9-13(5-6-15(14)29-24)21-22(25)18(32-2)10-19(33-3)23(21)26/h5-6,9-11,16-17H,4,7-8,12H2,1-3H3,(H,28,31)(H,27,29,30)/t16-,17+/m0/s1 | Definition date: | 2017-11-05 | Last modified: | 2024-09-27 | Release date: | 2019-07-10 | Identifier: | N-[(3S,4S)-3-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}oxan-4-yl]propanamide |
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 | X83 | Name: | methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6R)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | Formula: | C24 H41 F N4 O6 | SMILES: | CNC(=O)C(O)C(CCC(C)F)NC(=O)C1C2CCCC2CN1C(=O)C(NC(=O)OC)C(C)(C)C | InChi: | InChI=1S/C24H41FN4O6/c1-13(25)10-11-16(18(30)21(32)26-5)27-20(31)17-15-9-7-8-14(15)12-29(17)22(33)19(24(2,3)4)28-23(34)35-6/h13-19,30H,7-12H2,1-6H3,(H,26,32)(H,27,31)(H,28,34)/t13-,14+,15+,16+,17+,18-,19-/m1/s1 | Definition date: | 2023-10-24 | Last modified: | 2024-09-27 | Release date: | 2024-03-06 | Identifier: | methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6R)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate (non-preferred name) |
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 | YDL | Name: | N-(methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-(trifluoromethyl)-L-prolinamide | Formula: | C21 H32 F3 N5 O5 | SMILES: | FC(F)(F)C1CC(C(=O)NC(C=N)CC2CCNC2=O)N(C1)C(=O)C(NC(=O)OC)C(C)(C)C | InChi: | InChI=1S/C21H32F3N5O5/c1-20(2,3)15(28-19(33)34-4)18(32)29-10-12(21(22,23)24)8-14(29)17(31)27-13(9-25)7-11-5-6-26-16(11)30/h9,11-15,25H,5-8,10H2,1-4H3,(H,26,30)(H,27,31)(H,28,33)/t11-,12+,13-,14-,15+/m0/s1 | Synonyms: | Ibuzatrelvir, bound form | Definition date: | 2023-12-01 | Last modified: | 2024-09-27 | Release date: | 2024-05-15 | Identifier: | N-(methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-(trifluoromethyl)-L-prolinamide |
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 | UPK | Name: | 2-(hydroxymethyl)-5-(2-phenylimidazol-1-yl)phenol | Formula: | C16 H12 N2 O2 | SMILES: | Oc1cc(ccc1C=O)n2ccnc2c3ccccc3 | InChi: | InChI=1S/C16H12N2O2/c19-11-13-6-7-14(10-15(13)20)18-9-8-17-16(18)12-4-2-1-3-5-12/h1-11,20H | Definition date: | 2021-03-04 | Last modified: | 2024-09-27 | Release date: | 2021-06-16 | Identifier: | 2-oxidanyl-4-(2-phenylimidazol-1-yl)benzaldehyde |
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 | YDM | Name: | 1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one | Formula: | C15 H17 N O | SMILES: | CCC(=O)c1ccc2cc(ccc2c1)N(C)C | InChi: | InChI=1S/C15H17NO/c1-4-15(17)13-6-5-12-10-14(16(2)3)8-7-11(12)9-13/h5-10H,4H2,1-3H3 | Synonyms: | acrylodan, bound form | Definition date: | 2023-01-26 | Last modified: | 2024-09-27 | Release date: | 2023-08-30 | Identifier: | 1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one |
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 | WS9 | Name: | N-[(1E,3R)-5-amino-1-(1,3-oxazol-2-yl)-5-oxopent-1-en-3-yl]-1-{1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carbonyl}-L-prolinamide | Formula: | C24 H25 F3 N4 O5 | SMILES: | FC(F)(F)Oc1ccc(cc1)C1(CC1)C(=O)N1CCCC1C(=O)NC(/C=C/c1ncco1)CC(N)=O | InChi: | InChI=1S/C24H25F3N4O5/c25-24(26,27)36-17-6-3-15(4-7-17)23(9-10-23)22(34)31-12-1-2-18(31)21(33)30-16(14-19(28)32)5-8-20-29-11-13-35-20/h3-8,11,13,16,18H,1-2,9-10,12,14H2,(H2,28,32)(H,30,33) | Definition date: | 2022-10-17 | Last modified: | 2024-09-27 | Release date: | 2023-10-11 | Identifier: | N-[(1E,3R)-5-amino-1-(1,3-oxazol-2-yl)-5-oxopent-1-en-3-yl]-1-{1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carbonyl}-L-prolinamide |
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 | MLU | Name: | N-methyl-D-leucine | Formula: | C7 H15 N O2 | SMILES: | O=C(O)C(NC)CC(C)C | InChi: | InChI=1S/C7H15NO2/c1-5(2)4-6(8-3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)/t6-/m1/s1 | Definition date: | 2010-08-06 | Last modified: | 2024-09-27 | Identifier: | N-methyl-D-leucine |
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 | ZTO | Name: | N-(3-{[(3R)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}phenyl)-4-methoxybenzamide | Formula: | C23 H19 F N2 O3 | SMILES: | COc1ccc(cc1)C(=O)Nc1cccc(c1)CC1c2cc(F)ccc2NC1=O | InChi: | InChI=1S/C23H19FN2O3/c1-29-18-8-5-15(6-9-18)22(27)25-17-4-2-3-14(11-17)12-20-19-13-16(24)7-10-21(19)26-23(20)28/h2-11,13,20H,12H2,1H3,(H,25,27)(H,26,28)/t20-/m1/s1 | Definition date: | 2023-03-31 | Last modified: | 2024-09-27 | Release date: | 2024-03-27 | Identifier: | N-(3-{[(3R)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}phenyl)-4-methoxybenzamide |
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 | T43 | Name: | 2,2,2-trifluoro-N-{(2S)-1-[(1R,2S,5S)-2-({(2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamothioyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}acetamide | Formula: | C30 H35 F4 N5 O4 S2 | SMILES: | FC(F)(F)C(=O)NC(C(=O)N1CC2C(C1C(=S)NC(CC1CCNC1=O)C(=O)c1nc3c(F)cccc3s1)C2(C)C)C(C)(C)C | InChi: | InChI=1S/C30H35F4N5O4S2/c1-28(2,3)22(38-27(43)30(32,33)34)26(42)39-12-14-18(29(14,4)5)20(39)24(44)36-16(11-13-9-10-35-23(13)41)21(40)25-37-19-15(31)7-6-8-17(19)45-25/h6-8,13-14,16,18,20,22H,9-12H2,1-5H3,(H,35,41)(H,36,44)(H,38,43)/t13-,14-,16-,18-,20-,22+/m0/s1 | Definition date: | 2022-07-18 | Last modified: | 2024-09-27 | Release date: | 2022-08-24 | Identifier: | 2,2,2-trifluoro-N-{(2S)-1-[(1R,2S,5S)-2-({(2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamothioyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}acetamide |
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 | PVS | Name: | (ethenylsulfonyl)benzene | Formula: | C8 H8 O2 S | SMILES: | ethenyl phenyl sulfone | InChi: | InChI=1S/C8H8O2S/c1-2-11(9,10)8-6-4-3-5-7-8/h2-7H,1H2 | Synonyms: | Phenyl Vinyl Sulphone | Definition date: | 2008-07-15 | Last modified: | 2024-09-27 | Identifier: | (ethenylsulfonyl)benzene |
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 | YQV | Name: | methyl {(1S,2R)-2-[(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-{1-[(3-methoxy-1-{4-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptane-2-sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}ethyl]cyclopentyl}carbamate | Formula: | C42 H59 F N6 O6 S | SMILES: | O=S(=O)(c1ccc(cc1)N1CC(CN2CCC(CC2)C(CN2CCC2)(c2cccc(F)c2)C2CCCC2NC(=O)OC)(OC)C1)N1CC2CC1CN2C(=O)CC | InChi: | InChI=1S/C42H59FN6O6S/c1-4-39(50)48-24-35-23-34(48)25-49(35)56(52,53)36-14-12-33(13-15-36)47-27-41(28-47,55-3)26-46-20-16-30(17-21-46)42(29-45-18-7-19-45,31-8-5-9-32(43)22-31)37-10-6-11-38(37)44-40(51)54-2/h5,8-9,12-15,22,30,34-35,37-38H,4,6-7,10-11,16-21,23-29H2,1-3H3,(H,44,51)/t34-,35-,37-,38-,42-/m0/s1 | Definition date: | 2021-03-24 | Last modified: | 2024-09-27 | Release date: | 2021-08-11 | Identifier: | methyl {(1S,2R)-2-[(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-{1-[(3-methoxy-1-{4-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptane-2-sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}ethyl]cyclopentyl}carbamate |
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 | SAR | Name: | SARCOSINE | Formula: | C3 H7 N O2 | SMILES: | O=C(O)CNC | InChi: | InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6) | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | N-methylglycine |
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 | T44 | Name: | 3,5,3',5'-TETRAIODO-L-THYRONINE | Formula: | C15 H11 I4 N O4 | SMILES: | O=C(O)C(N)Cc2cc(I)c(Oc1cc(I)c(O)c(I)c1)c(I)c2 | InChi: | InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosine |
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 | YDQ | Name: | 2-bromo-1-[6-(dimethylamino)naphthalen-2-yl]ethan-1-one | Formula: | C14 H14 Br N O | SMILES: | BrCC(=O)c1ccc2cc(ccc2c1)N(C)C | InChi: | InChI=1S/C14H14BrNO/c1-16(2)13-6-5-10-7-12(14(17)9-15)4-3-11(10)8-13/h3-8H,9H2,1-2H3 | Synonyms: | BADAN | Definition date: | 2023-01-26 | Last modified: | 2024-09-27 | Release date: | 2023-08-30 | Identifier: | 2-bromo-1-[6-(dimethylamino)naphthalen-2-yl]ethan-1-one |
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