 | R50 | Name: | 2-methyl-1-[(4P)-3-methyl-4-(2-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-1H-pyrrolo[2,3-c]pyridin-1-yl]prop-2-en-1-one, bound form | Formula: | C22 H25 N3 O | SMILES: | CC(C)C(=O)n1cc(C)c2c1cncc2c1ccc2CN(C)CCc2c1 | InChi: | InChI=1S/C22H25N3O/c1-14(2)22(26)25-12-15(3)21-19(10-23-11-20(21)25)17-5-6-18-13-24(4)8-7-16(18)9-17/h5-6,9-12,14H,7-8,13H2,1-4H3 | Definition date: | 2022-06-16 | Last modified: | 2024-09-27 | Release date: | 2022-10-12 | Identifier: | 2-methyl-1-[(4P)-3-methyl-4-(2-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-1H-pyrrolo[2,3-c]pyridin-1-yl]propan-1-one |
|
 | H0E | Name: | (10S)-3,3-dimethyl-8-{[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl}-2,3,4,10-tetrahydropyrimido[1,2-a]indol-10-ol | Formula: | C24 H29 N3 O4 S | SMILES: | O=S(=O)(c3ccc2N1C(=NCC(C)(C)C1)C(O)c2c3)N5C(COc4ccccc4)CCC5 | InChi: | InChI=1S/C24H29N3O4S/c1-24(2)15-25-23-22(28)20-13-19(10-11-21(20)26(23)16-24)32(29,30)27-12-6-7-17(27)14-31-18-8-4-3-5-9-18/h3-5,8-11,13,17,22,28H,6-7,12,14-16H2,1-2H3/t17-,22-/m0/s1 | Definition date: | 2009-04-10 | Last modified: | 2024-09-27 | Identifier: | (10S)-3,3-dimethyl-8-{[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl}-2,3,4,10-tetrahydropyrimido[1,2-a]indol-10-ol |
|
 | H0F | Name: | 2-[(2~{S})-1-[(2~{S},3~{S})-3-methyl-2-(methylamino)pentanoyl]pyrrolidin-2-yl]ethanamide | Formula: | C13 H25 N3 O2 | SMILES: | CC[CH](C)[CH](NC)C(=O)N1CCC[CH]1CC(N)=O | InChi: | InChI=1S/C13H25N3O2/c1-4-9(2)12(15-3)13(18)16-7-5-6-10(16)8-11(14)17/h9-10,12,15H,4-8H2,1-3H3,(H2,14,17)/t9-,10-,12-/m0/s1 | Definition date: | 2022-05-18 | Last modified: | 2024-09-27 | Release date: | 2022-06-29 | Identifier: | 2-[(2~{S})-1-[(2~{S},3~{S})-3-methyl-2-(methylamino)pentanoyl]pyrrolidin-2-yl]ethanamide |
|
 | H0O | Name: | ~{N}-[4-[3,5-dimethyl-4-(5-methyl-2~{H}-indazol-4-yl)pyrazol-1-yl]phenyl]propanamide | Formula: | C22 H23 N5 O | SMILES: | CCC(=O)Nc1ccc(cc1)n2nc(C)c(c2C)c3c(C)ccc4n[nH]cc34 | InChi: | InChI=1S/C22H23N5O/c1-5-20(28)24-16-7-9-17(10-8-16)27-15(4)22(14(3)26-27)21-13(2)6-11-19-18(21)12-23-25-19/h6-12H,5H2,1-4H3,(H,23,25)(H,24,28) | Definition date: | 2022-02-07 | Last modified: | 2024-09-27 | Release date: | 2022-04-27 | Identifier: | ~{N}-[4-[3,5-dimethyl-4-(5-methyl-2~{H}-indazol-4-yl)pyrazol-1-yl]phenyl]propanamide |
|
 | R5P | Name: | RIBOSE-5-PHOSPHATE | Formula: | C5 H11 O8 P | SMILES: | O=P(OCC(O)C(O)C(O)C=O)(O)O | InChi: | InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4+,5-/m0/s1 | Definition date: | 2001-06-19 | Last modified: | 2024-09-27 | Identifier: | 5-O-phosphono-D-ribose |
|
 | H14 | Name: | (2S,3R)-BETA-HYDROXY-PHENYLALANINE | Formula: | C9 H11 N O3 | SMILES: | O=C(O)C(N)C(O)c1ccccc1 | InChi: | InChI=1S/C9H11NO3/c10-7(9(12)13)8(11)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/t7-,8+/m0/s1 | Synonyms: | BETA-HYDROXY-PHENYLALANINE | Definition date: | 2008-10-17 | Last modified: | 2024-09-27 | Release date: | 2012-12-21 | Identifier: | (betaR)-beta-hydroxy-L-phenylalanine |
|
 | A1A7S | Name: | S-{2-[(N-{(2R)-2-hydroxy-3,3-dimethyl-4-[(trihydroxy-lambda~5~-phosphanyl)oxy]butanoyl}-beta-alanyl)amino]ethyl} 2-hydroxybenzene-1-carbothioate | Formula: | C18 H27 N2 O9 P S | SMILES: | Oc1ccccc1C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O | InChi: | InChI=1S/C18H27N2O9PS/c1-18(2,11-29-30(26,27)28)15(23)16(24)20-8-7-14(22)19-9-10-31-17(25)12-5-3-4-6-13(12)21/h3-6,15,21,23H,7-11H2,1-2H3,(H,19,22)(H,20,24)(H2,26,27,28)/t15-/m0/s1 | Definition date: | 2024-09-17 | Last modified: | 2024-09-27 | Release date: | 2024-09-25 | Identifier: | S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] 2-hydroxybenzene-1-carbothioate |
|
 | R6E | Name: | (2~{R})-2-azanyl-2-ethyl-octanoic acid | Formula: | C10 H21 N O2 | SMILES: | CCCCCC[C](N)(CC)C(O)=O | InChi: | InChI=1S/C10H21NO2/c1-3-5-6-7-8-10(11,4-2)9(12)13/h3-8,11H2,1-2H3,(H,12,13)/t10-/m1/s1 | Definition date: | 2019-05-03 | Last modified: | 2024-09-27 | Release date: | 2020-03-18 | Identifier: | (2~{R})-2-azanyl-2-ethyl-octanoic acid |
|
 | R74 | Name: | N~2~-[(2H-1,3-benzodioxol-5-yl)acetyl]-N-[(pyridin-4-yl)methyl]-L-cysteinamide | Formula: | C18 H19 N3 O4 S | SMILES: | O=C(C(CS)NC(Cc2ccc1OCOc1c2)=O)NCc3ccncc3 | InChi: | InChI=1S/C18H19N3O4S/c22-17(8-13-1-2-15-16(7-13)25-11-24-15)21-14(10-26)18(23)20-9-12-3-5-19-6-4-12/h1-7,14,26H,8-11H2,(H,20,23)(H,21,22)/t14-/m0/s1 | Definition date: | 2020-02-04 | Last modified: | 2024-09-27 | Release date: | 2020-08-05 | Identifier: | N~2~-[(2H-1,3-benzodioxol-5-yl)acetyl]-N-[(pyridin-4-yl)methyl]-L-cysteinamide |
|
 | H2A | Name: | (6R,7R)-3-[(ACETYLOXY)METHYL]-7-{[(6S)-6-(GLYCYLAMINO)-7-OXIDO-7-OXOHEPTANOYL]AMINO}-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCTANE-2-CARBOXYLATE | Formula: | C19 H27 N4 O9 S | SMILES: | [O-]C(=O)C(NC(=O)C[NH3+])CCCCC(=O)NC2C(=O)N1C2SCC(COC(=O)C)C1C([O-])=O | InChi: | InChI=1S/C19H28N4O9S/c1-9(24)32-7-10-8-33-17-14(16(27)23(17)15(10)19(30)31)22-12(25)5-3-2-4-11(18(28)29)21-13(26)6-20/h10-11,14-15,17H,2-8,20H2,1H3,(H,21,26)(H,22,25)(H,28,29)(H,30,31)/p-1/t10-,11+,14-,15+,17-/m1/s1 | Definition date: | 2003-07-18 | Last modified: | 2024-09-27 | Identifier: | (2S,3R,6R,7R)-3-[(acetyloxy)methyl]-7-({(6S)-6-[(ammonioacetyl)amino]-6-carboxylatohexanoyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate |
|
 | R7A | Name: | S-[(4-bromo-1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate | Formula: | C10 H17 Br N O3 S2 | SMILES: | BrC1=C(C(N(O)C1(C)C)(C)C)CSS(=O)(=O)C | InChi: | InChI=1S/C10H18BrNO3S2/c1-9(2)7(6-16-17(5,14)15)8(11)10(3,4)12(9)13/h13H,6H2,1-5H3 | Definition date: | 2005-07-19 | Last modified: | 2024-09-27 | Identifier: | S-[(4-bromo-1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate |
|
 | R7D | Name: | N~2~-{(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl}-N-[(pyridin-2-yl)methyl]-L-cysteinamide | Formula: | C18 H18 F3 N3 O3 S | SMILES: | SCC(C(NCc1ncccc1)=O)NC(C(c2ccc(cc2)C(F)(F)F)O)=O | InChi: | InChI=1S/C18H18F3N3O3S/c19-18(20,21)12-6-4-11(5-7-12)15(25)17(27)24-14(10-28)16(26)23-9-13-3-1-2-8-22-13/h1-8,14-15,25,28H,9-10H2,(H,23,26)(H,24,27)/t14-,15+/m0/s1 | Definition date: | 2020-02-04 | Last modified: | 2024-09-27 | Release date: | 2020-08-05 | Identifier: | N~2~-{(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl}-N-[(pyridin-2-yl)methyl]-L-cysteinamide |
|
 | R7G | Name: | 1-[(2S)-2-{[(2Z)-2-(2-amino-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 H28 N8 O12 S | SMILES: | O=C1N(C(c2c1cc(c(c2)O)O)=O)CCNC(=O)C=3CN(NC=3C(O)=O)CC(C=O)NC(=O)C(=N/OC(C)(C)C(O)=O)c4csc(n4)N | InChi: | InChI=1S/C27H28N8O12S/c1-27(2,25(45)46)47-33-19(15-10-48-26(28)31-15)21(40)30-11(9-36)7-34-8-14(18(32-34)24(43)44)20(39)29-3-4-35-22(41)12-5-16(37)17(38)6-13(12)23(35)42/h5-6,9-11,32,37-38H,3-4,7-8H2,1-2H3,(H2,28,31)(H,29,39)(H,30,40)(H,43,44)(H,45,46)/b33-19-/t11-/m0/s1 | Synonyms: | YU253434 | Definition date: | 2020-02-05 | Last modified: | 2024-09-27 | Release date: | 2020-05-13 | Identifier: | 1-[(2S)-2-{[(2Z)-2-(2-amino-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 |
|
 | H2S | Name: | HYDROSULFURIC ACID | Formula: | H2 S | SMILES: | S | InChi: | InChI=1S/H2S/h1H2 | Synonyms: | HYDROGEN SULFIDE | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | sulfane |
|
 | H2T | Name: | 1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-(1-methylindazol-5-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one | Formula: | C29 H30 Cl N7 O | SMILES: | CCC(=O)N1CC2(CC(C2)n3nc(c4ccc5n(C)ncc5c4)c(c3C)c6c(Cl)c(C)cc7[nH]ncc67)C1 | InChi: | InChI=1S/C29H30ClN7O/c1-5-24(38)36-14-29(15-36)10-20(11-29)37-17(3)25(26-21-13-31-33-22(21)8-16(2)27(26)30)28(34-37)18-6-7-23-19(9-18)12-32-35(23)4/h6-9,12-13,20H,5,10-11,14-15H2,1-4H3,(H,31,33) | Definition date: | 2022-02-07 | Last modified: | 2024-09-27 | Release date: | 2022-04-27 | Identifier: | 1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-(1-methylindazol-5-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one |
|
 | H2U | Name: | 5,6-DIHYDROURIDINE-5'-MONOPHOSPHATE | Formula: | C9 H15 N2 O9 P | SMILES: | O=C1N(CCC(=O)N1)C2OC(C(O)C2O)COP(=O)(O)O | InChi: | InChI=1S/C9H15N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h4,6-8,13-14H,1-3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | 5'-uridylic acid |
|
 | H2V | Name: | S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] aminoethanethioate | Formula: | C13 H26 N3 O8 P S | SMILES: | O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O)CN | InChi: | InChI=1S/C13H26N3O8PS/c1-13(2,8-24-25(21,22)23)11(19)12(20)16-4-3-9(17)15-5-6-26-10(18)7-14/h11,19H,3-8,14H2,1-2H3,(H,15,17)(H,16,20)(H2,21,22,23)/t11-/m1/s1 | Synonyms: | S-glycyl-4'-phosphopantetheine | Definition date: | 2012-09-21 | Last modified: | 2024-09-27 | Release date: | 2013-03-06 | Identifier: | S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] aminoethanethioate |
|
 | A1ADF | Name: | 4-{(E)-[4-(dimethylamino)phenyl]diazenyl}benzoic acid | Formula: | C15 H15 N3 O2 | SMILES: | CN(C)c1ccc(/N=N/c2ccc(cc2)C(=O)O)cc1 | InChi: | InChI=1S/C15H15N3O2/c1-18(2)14-9-7-13(8-10-14)17-16-12-5-3-11(4-6-12)15(19)20/h3-10H,1-2H3,(H,19,20)/b17-16+ | Definition date: | 2024-01-21 | Last modified: | 2024-09-27 | Release date: | 2024-08-07 | Identifier: | 4-{(E)-[4-(dimethylamino)phenyl]diazenyl}benzoic acid |
|
 | HUD | Name: | tert-butyl {(2S)-1-[(1R,2S,5S)-2-{[(2S,3R)-4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl]carbamoyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | Formula: | C26 H44 N4 O6 | SMILES: | O=C(N3C(C(=O)NC(CC1CC1)C(O)C(=O)N)C2C(C)(C2C3)C)C(NC(=O)OC(C)(C)C)C(C)(C)C | InChi: | InChI=1S/C26H44N4O6/c1-24(2,3)19(29-23(35)36-25(4,5)6)22(34)30-12-14-16(26(14,7)8)17(30)21(33)28-15(11-13-9-10-13)18(31)20(27)32/h13-19,31H,9-12H2,1-8H3,(H2,27,32)(H,28,33)(H,29,35)/t14-,15-,16-,17-,18+,19+/m0/s1 | Synonyms: | ketoamide inhibitor SCH476776, bound form | Definition date: | 2007-01-08 | Last modified: | 2024-09-27 | Identifier: | tert-butyl {(2S)-1-[(1R,2S,5S)-2-{[(2S,3R)-4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl]carbamoyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate |
|
 | A1ADP | Name: | (2R,4R)-2-[(1R)-1-{[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoethyl]-5-methylidene-1,3-thiazinane-4-carboxylic acid | Formula: | C23 H27 N5 O8 S | SMILES: | OC(=O)C1NC(SCC1=C)C(C=O)NC(=O)C(NC(=O)N1CCN(CC)C(=O)C1=O)c1ccc(O)cc1 | InChi: | InChI=1S/C23H27N5O8S/c1-3-27-8-9-28(21(33)20(27)32)23(36)26-17(13-4-6-14(30)7-5-13)18(31)24-15(10-29)19-25-16(22(34)35)12(2)11-37-19/h4-7,10,15-17,19,25,30H,2-3,8-9,11H2,1H3,(H,24,31)(H,26,36)(H,34,35)/t15-,16-,17-,19-/m1/s1 | Definition date: | 2024-01-24 | Last modified: | 2024-09-27 | Release date: | 2024-03-20 | Identifier: | (2R,4R)-2-[(1R)-1-{[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoethyl]-5-methylidene-1,3-thiazinane-4-carboxylic acid |
|
 | HUJ | Name: | [(1R)-3-methyl-1-[[1-[2-[(2,3,4-trimethoxyphenyl)carbonylamino]ethyl]-1,2,3-triazol-4-yl]carbonylamino]butyl]-tris(oxidanyl)boron | Formula: | C20 H31 B N5 O8 | SMILES: | COc1ccc(C(=O)NCCn2cc(nn2)C(=O)N[CH](CC(C)C)[B](O)(O)O)c(OC)c1OC | InChi: | InChI=1S/C20H31BN5O8/c1-12(2)10-16(21(29,30)31)23-20(28)14-11-26(25-24-14)9-8-22-19(27)13-6-7-15(32-3)18(34-5)17(13)33-4/h6-7,11-12,16,29-31H,8-10H2,1-5H3,(H,22,27)(H,23,28)/t16-/m0/s1 | Definition date: | 2018-07-20 | Last modified: | 2024-09-27 | Release date: | 2019-09-11 | Identifier: | [3-methyl-1-[[1-[2-[(2,3,4-trimethoxyphenyl)carbonylamino]ethyl]-1,2,3-triazol-4-yl]carbonylamino]butyl]-tris(oxidanyl)boron |
|
 | H37 | Name: | D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-phenylalaninamide | Formula: | C25 H33 Cl N6 O3 | SMILES: | ClCC(=O)C(NC(=O)C(NC(=O)C(N)Cc1ccccc1)Cc2ccccc2)CCCNC(=[N@H])N | InChi: | InChI=1S/C25H33ClN6O3/c26-16-22(33)20(12-7-13-30-25(28)29)31-24(35)21(15-18-10-5-2-6-11-18)32-23(34)19(27)14-17-8-3-1-4-9-17/h1-6,8-11,19-21H,7,12-16,27H2,(H,31,35)(H,32,34)(H4,28,29,30)/t19-,20+,21+/m1/s1 | Synonyms: | FFRCK | Definition date: | 2010-11-09 | Last modified: | 2024-09-27 | Identifier: | D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-phenylalaninamide |
|
 | H3D | Name: | N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide | Formula: | C15 H19 N O3 | SMILES: | C3C(c1cc2c(cc1)OCCO2)(NC(=O)C)CCC3 | InChi: | InChI=1S/C15H19NO3/c1-11(17)16-15(6-2-3-7-15)12-4-5-13-14(10-12)19-9-8-18-13/h4-5,10H,2-3,6-9H2,1H3,(H,16,17) | Definition date: | 2018-06-11 | Last modified: | 2024-09-27 | Release date: | 2019-03-27 | Identifier: | N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide |
|
 | HUY | Name: | 1-(2-{[3-(trifluoromethyl)phenyl]amino}phenyl)ethan-1-one | Formula: | C15 H12 F3 N O | SMILES: | CC(c1ccccc1Nc2cccc(c2)C(F)(F)F)=O | InChi: | InChI=1S/C15H12F3NO/c1-10(20)13-7-2-3-8-14(13)19-12-6-4-5-11(9-12)15(16,17)18/h2-9,19H,1H3 | Definition date: | 2018-07-23 | Last modified: | 2024-09-27 | Release date: | 2019-01-09 | Identifier: | 1-(2-{[3-(trifluoromethyl)phenyl]amino}phenyl)ethan-1-one |
|
 | HVA | Name: | 3-hydroxy-L-valine | Formula: | C5 H11 N O3 | SMILES: | O=C(O)C(N)C(O)(C)C | InChi: | InChI=1S/C5H11NO3/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m1/s1 | Synonyms: | L-beta-hydroxyvaline | Definition date: | 2008-06-02 | Last modified: | 2024-09-27 | Identifier: | 3-hydroxy-L-valine |
|