| B6D | Name: | 2,4-bisacetamido-2,4,6-trideoxy-beta-D-glucopyranose | Formula: | C10 H18 N2 O5 | SMILES: | O=C(NC1C(OC(O)C(NC(=O)C)C1O)C)C | InChi: | InChI=1S/C10H18N2O5/c1-4-7(11-5(2)13)9(15)8(10(16)17-4)12-6(3)14/h4,7-10,15-16H,1-3H3,(H,11,13)(H,12,14)/t4-,7-,8-,9+,10-/m1/s1 | Synonyms: | 2,4-bis(acetylamino)-2,4,6-trideoxy-beta-D-glucopyranose | Definition date: | 2008-05-01 | Last modified: | 2024-09-27 | Identifier: | 2,4-bis(acetylamino)-2,4,6-trideoxy-beta-D-glucopyranose |
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| QQZ | Name: | phosphonooxy-[[[6-(1~{H}-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]sulfonylamino]methyl]borinic acid | Formula: | C7 H10 B N6 O7 P S | SMILES: | OB(CN[S](=O)(=O)c1ccc(nc1)c2[nH]nnn2)O[P](O)(O)=O | InChi: | InChI=1S/C7H10BN6O7PS/c15-8(21-22(16,17)18)4-10-23(19,20)5-1-2-6(9-3-5)7-11-13-14-12-7/h1-3,10,15H,4H2,(H2,16,17,18)(H,11,12,13,14) | Definition date: | 2017-07-05 | Last modified: | 2024-09-27 | Release date: | 2017-12-06 | Identifier: | phosphonooxy-[[[6-(1~{H}-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]sulfonylamino]methyl]borinic acid |
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| QT4 | Name: | ~{N}-[[2,2-bis(fluoranyl)-10,12-dimethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-4-yl]methyl]ethanamide | Formula: | C14 H17 B F2 N3 O | SMILES: | CC(=O)NCc1ccc2Cc3n(c(C)cc3C)[B](F)(F)n12 | InChi: | InChI=1S/C14H17BF2N3O/c1-9-6-10(2)19-14(9)7-12-4-5-13(8-18-11(3)21)20(12)15(19,16)17/h4-6H,7-8H2,1-3H3,(H,18,21) | Definition date: | 2019-12-17 | Last modified: | 2024-09-27 | Release date: | 2020-05-06 | Identifier: | ~{N}-[[2,2-bis(fluoranyl)-10,12-dimethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-4-yl]methyl]ethanamide |
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| BDB | Name: | 4,4'-BIPHENYLDIBORONIC ACID | Formula: | C12 H12 B2 O4 | SMILES: | OB(O)c1ccc(cc1)c2ccc(cc2)B(O)O | InChi: | InChI=1S/C12H12B2O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8,15-18H | Definition date: | 2001-11-20 | Last modified: | 2024-09-27 | Identifier: | biphenyl-4,4'-diyldiboronic acid |
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| BDF | Name: | beta-D-fructopyranose | Formula: | C6 H12 O6 | SMILES: | OC1C(O)(OCC(O)C1O)CO | 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-/m1/s1 | Synonyms: | beta-D-fructose | Definition date: | 2002-11-01 | Last modified: | 2024-09-27 | Identifier: | beta-D-fructopyranose |
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| C6S | Name: | (3R)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid | Formula: | C16 H20 B N O5 | SMILES: | OB1Oc2c(C[CH]1NC(=O)C3CCCCC3)cccc2C(O)=O | InChi: | InChI=1S/C16H20BNO5/c19-15(10-5-2-1-3-6-10)18-13-9-11-7-4-8-12(16(20)21)14(11)23-17(13)22/h4,7-8,10,13,22H,1-3,5-6,9H2,(H,18,19)(H,20,21)/t13-/m0/s1 | Definition date: | 2015-12-08 | Last modified: | 2024-09-27 | Release date: | 2016-08-17 | Identifier: | (3R)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid |
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| C8D | Name: | N-[(CYCLOPENTYLOXY)CARBONYL]-3-METHYL-L-VALYL-(4R)-N-{(1R)-3-HYDROXY-1-[HYDROXY(OXIDO)BORANYL]PROPYL}-4-(ISOQUINOLIN-1-YLOXY)-L-PROLINAMIDE | Formula: | C29 H40 B N4 O8 | SMILES: | O=C(N3C(C(=O)NC(B([O-])O)CCO)CC(Oc1nccc2c1cccc2)C3)C(NC(=O)OC4CCCC4)C(C)(C)C | InChi: | InChI=1S/C29H40BN4O8/c1-29(2,3)24(33-28(38)42-19-9-5-6-10-19)27(37)34-17-20(16-22(34)25(36)32-23(13-15-35)30(39)40)41-26-21-11-7-4-8-18(21)12-14-31-26/h4,7-8,11-12,14,19-20,22-24,35,39H,5-6,9-10,13,15-17H2,1-3H3,(H,32,36)(H,33,38)/q-1/t20-,22+,23+,24-/m1/s1 | Definition date: | 2010-04-23 | Last modified: | 2024-09-27 | Identifier: | N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-{(1R)-3-hydroxy-1-[hydroxy(oxido)boranyl]propyl}-4-(isoquinolin-1-yloxy)-L-prolinamide |
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| C9P | Name: | 4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)benzoic acid | Formula: | C17 H14 B N O8 S3 | SMILES: | O=S(=O)(c1csc(c1)S(=O)(=O)Nc2cc(B(O)O)ccc2C(=O)O)c3ccccc3 | InChi: | InChI=1S/C17H14BNO8S3/c20-17(21)14-7-6-11(18(22)23)8-15(14)19-30(26,27)16-9-13(10-28-16)29(24,25)12-4-2-1-3-5-12/h1-10,19,22-23H,(H,20,21) | Synonyms: | 3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-4-CARBOXY-PHENYLBORONIC ACID | Definition date: | 2007-12-20 | Last modified: | 2024-09-27 | Identifier: | 4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)benzoic acid |
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| CB4 | Name: | PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE | Formula: | C10 H15 B N4 O6 S | SMILES: | O=C(O)C(ON=C(c1nc(sc1)N)C(=O)NCB(O)O)(C)C | InChi: | InChI=1S/C10H15BN4O6S/c1-10(2,8(17)18)21-15-6(5-3-22-9(12)14-5)7(16)13-4-11(19)20/h3,19-20H,4H2,1-2H3,(H2,12,14)(H,13,16)(H,17,18)/b15-6- | Definition date: | 2001-04-16 | Last modified: | 2024-09-27 | Identifier: | (5Z)-5-(2-amino-1,3-thiazol-4-yl)-1,1-dihydroxy-8,8-dimethyl-4-oxo-7-oxa-3,6-diaza-1-boranon-5-en-9-oic acid |
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| R1W | Name: | ~{N}-[5-[4-chloranyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]propanamide | Formula: | C28 H30 Cl N5 O | SMILES: | CCC(=O)Nc1cc(ccc1C)c2c([nH]c3nccc(Cl)c23)c4ccc(cc4)N5CCN(C)CC5 | InChi: | InChI=1S/C28H30ClN5O/c1-4-24(35)31-23-17-20(6-5-18(23)2)25-26-22(29)11-12-30-28(26)32-27(25)19-7-9-21(10-8-19)34-15-13-33(3)14-16-34/h5-12,17H,4,13-16H2,1-3H3,(H,30,32)(H,31,35) | Definition date: | 2020-08-25 | Last modified: | 2024-09-27 | Release date: | 2022-02-23 | Identifier: | ~{N}-[5-[4-chloranyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]propanamide |
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| CIX | Name: | N-[(benzyloxy)carbonyl]-L-leucyl-N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]-L-leucinamide | Formula: | C25 H42 B N3 O6 | SMILES: | O=C(NC(B(O)O)CC(C)C)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C | InChi: | InChI=1S/C25H42BN3O6/c1-16(2)12-20(24(31)29-22(26(33)34)14-18(5)6)27-23(30)21(13-17(3)4)28-25(32)35-15-19-10-8-7-9-11-19/h7-11,16-18,20-22,33-34H,12-15H2,1-6H3,(H,27,30)(H,28,32)(H,29,31)/t20-,21-,22-/m0/s1 | Synonyms: | MG262 | Definition date: | 2012-08-02 | Last modified: | 2024-09-27 | Release date: | 2013-06-26 | Identifier: | N-[(benzyloxy)carbonyl]-L-leucyl-N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]-L-leucinamide |
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| RH5 | Name: | 4-[(3~{R})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide | Formula: | C21 H20 B N3 O3 | SMILES: | NC(=N)c1ccc(cc1OCc2cccnc2)[CH]3Cc4ccccc4B(O)O3 | InChi: | InChI=1S/C21H20BN3O3/c23-21(24)17-8-7-16(11-20(17)27-13-14-4-3-9-25-12-14)19-10-15-5-1-2-6-18(15)22(26)28-19/h1-9,11-12,19,26H,10,13H2,(H3,23,24)/t19-/m1/s1 | Definition date: | 2019-08-16 | Last modified: | 2024-09-27 | Release date: | 2019-09-25 | Identifier: | 4-[(3~{R})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide |
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| RIP | Name: | beta-D-ribopyranose | Formula: | C5 H10 O5 | SMILES: | OC1C(O)COC(O)C1O | InChi: | InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4-,5-/m1/s1 | Synonyms: | beta-D-ribose | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | beta-D-ribopyranose |
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| RM9 | Name: | (1aR,7bS)-5-fluoro-2-hydroxy-1,1a,2,7b-tetrahydrocyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid | Formula: | C10 H8 B F O4 | SMILES: | B1(Oc3c(C(O)=O)c(ccc3C2C1C2)F)O | InChi: | InChI=1S/C10H8BFO4/c12-7-2-1-4-5-3-6(5)11(15)16-9(4)8(7)10(13)14/h1-2,5-6,15H,3H2,(H,13,14)/t5-,6-/m1/s1 | Definition date: | 2019-11-24 | Last modified: | 2024-09-27 | Release date: | 2020-03-25 | Identifier: | (1aR,7bS)-5-fluoro-2-hydroxy-1,1a,2,7b-tetrahydrocyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid |
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| 3QD | Name: | ethylboronic acid | Formula: | C2 H7 B O2 | SMILES: | OB(O)CC | InChi: | InChI=1S/C2H7BO2/c1-2-3(4)5/h4-5H,2H2,1H3 | Definition date: | 2014-10-15 | Last modified: | 2024-09-27 | Release date: | 2014-11-12 | Identifier: | ethylboronic acid |
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| 3QJ | Name: | hexyl(trihydroxy)borate(1-) | Formula: | C6 H16 B O3 | SMILES: | O[B-](O)(O)CCCCCC | InChi: | InChI=1S/C6H16BO3/c1-2-3-4-5-6-7(8,9)10/h8-10H,2-6H2,1H3/q-1 | Definition date: | 2014-10-17 | Last modified: | 2024-09-27 | Release date: | 2014-11-12 | Identifier: | hexyl(trihydroxy)borate(1-) |
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| 3QK | Name: | trihydroxy(octyl)borate(1-) | Formula: | C8 H20 B O3 | SMILES: | O[B-](O)(O)CCCCCCCC | InChi: | InChI=1S/C8H20BO3/c1-2-3-4-5-6-7-8-9(10,11)12/h10-12H,2-8H2,1H3/q-1 | Definition date: | 2014-10-17 | Last modified: | 2024-09-27 | Release date: | 2014-11-12 | Identifier: | trihydroxy(octyl)borate(1-) |
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| CLB | Name: | D-PARA-CHLOROPHENYL-1-ACETAMIDOBORONIC ACID ALANINE | Formula: | C13 H19 B Cl N2 O6 | SMILES: | Clc1ccc(cc1)CC(NC(=O)C)[B-](O)(O)OCC(C(=O)O)N | InChi: | InChI=1S/C13H19BClN2O6/c1-8(18)17-12(6-9-2-4-10(15)5-3-9)14(21,22)23-7-11(16)13(19)20/h2-5,11-12,21-22H,6-7,16H2,1H3,(H,17,18)(H,19,20)/q-1/t11-,12-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | [(1R)-1-(acetylamino)-2-(4-chlorophenyl)ethyl](dihydroxy)(L-serinato-kappaO~3~)borate(1-) |
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| CLD | Name: | D-PARA-CHLOROPHENYL-1-ACTEAMIDOBORONIC ACID ALANINE | Formula: | C13 H19 B Cl N2 O6 | SMILES: | Clc1ccc(cc1)CC(NC(=O)C)[B-](O)(O)OCC(C(=O)O)N | InChi: | InChI=1S/C13H19BClN2O6/c1-8(18)17-12(6-9-2-4-10(15)5-3-9)14(21,22)23-7-11(16)13(19)20/h2-5,11-12,21-22H,6-7,16H2,1H3,(H,17,18)(H,19,20)/q-1/t11-,12+/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | [(1S)-1-(acetylamino)-2-(4-chlorophenyl)ethyl](dihydroxy)(L-serinato-kappaO~3~)borate(1-) |
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| RQT | Name: | ~{N}-[3-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanamide | Formula: | C16 H15 N3 O | SMILES: | CCC(=O)Nc1cccc(c1)c2c[nH]c3ncccc23 | InChi: | InChI=1S/C16H15N3O/c1-2-15(20)19-12-6-3-5-11(9-12)14-10-18-16-13(14)7-4-8-17-16/h3-10H,2H2,1H3,(H,17,18)(H,19,20) | Definition date: | 2020-10-20 | Last modified: | 2024-09-27 | Release date: | 2020-12-02 | Identifier: | ~{N}-[3-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanamide |
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| RQZ | Name: | 3-[3-(propanoylamino)phenyl]-1~{H}-pyrrolo[2,3-b]pyridine-5-carboxamide | Formula: | C17 H16 N4 O2 | SMILES: | CCC(=O)Nc1cccc(c1)c2c[nH]c3ncc(cc23)C(N)=O | InChi: | InChI=1S/C17H16N4O2/c1-2-15(22)21-12-5-3-4-10(6-12)14-9-20-17-13(14)7-11(8-19-17)16(18)23/h3-9H,2H2,1H3,(H2,18,23)(H,19,20)(H,21,22) | Definition date: | 2020-10-20 | Last modified: | 2024-09-27 | Release date: | 2020-12-02 | Identifier: | 3-[3-(propanoylamino)phenyl]-1~{H}-pyrrolo[2,3-b]pyridine-5-carboxamide |
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| RXW | Name: | (5-methyl-1H-indazol-6-yl)boronic acid | Formula: | C8 H9 B N2 O2 | SMILES: | Cc1cc2cn[nH]c2cc1B(O)O | InChi: | InChI=1S/C8H9BN2O2/c1-5-2-6-4-10-11-8(6)3-7(5)9(12)13/h2-4,12-13H,1H3,(H,10,11) | Synonyms: | 5-Methyl-1H-indazole-6-boronic acid | Definition date: | 2020-10-31 | Last modified: | 2024-09-27 | Release date: | 2021-08-11 | Identifier: | (5-methyl-1~{H}-indazol-6-yl)boronic acid |
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| RY2 | Name: | (3-(1H-tetrazol-5-yl)phenyl)boronic acid | Formula: | C7 H7 B N4 O2 | SMILES: | OB(O)c1cccc(c1)c2n[nH]nn2 | InChi: | InChI=1S/C7H7BN4O2/c13-8(14)6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4,13-14H,(H,9,10,11,12) | Synonyms: | [3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]boronic acid | Definition date: | 2020-10-31 | Last modified: | 2024-09-27 | Release date: | 2021-08-11 | Identifier: | [3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]boronic acid |
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| CTB | Name: | N-2-THIOPHEN-2-YL-ACETAMIDE BORONIC ACID | Formula: | C7 H10 B N O3 S | SMILES: | O=C(NCB(O)O)Cc1sccc1 | InChi: | InChI=1S/C7H10BNO3S/c10-7(9-5-8(11)12)4-6-2-1-3-13-6/h1-3,11-12H,4-5H2,(H,9,10) | Definition date: | 2000-09-26 | Last modified: | 2024-09-27 | Identifier: | {[(thiophen-2-ylacetyl)amino]methyl}boronic acid |
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| CVB | Name: | 4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID | Formula: | C9 H9 B O4 | SMILES: | O=C(O)C=Cc1ccc(B(O)O)cc1 | InChi: | InChI=1S/C9H9BO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6,13-14H,(H,11,12)/b6-3+ | Definition date: | 2001-11-20 | Last modified: | 2024-09-27 | Identifier: | (2E)-3-[4-(dihydroxyboranyl)phenyl]prop-2-enoic acid |
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