 | | Z2Z | | Name: | 8-(methanesulfonyl)quinoline | | Formula: | C10 H9 N O2 S | | SMILES: | CS(=O)(=O)c1cccc2cccnc12 | | InChi: | InChI=1S/C10H9NO2S/c1-14(12,13)9-6-2-4-8-5-3-7-11-10(8)9/h2-7H,1H3 | | Definition date: | 2023-06-22 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | 8-(methanesulfonyl)quinoline |
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 | | Z5Z | | Name: | (2R,6S)-2,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine | | Formula: | C9 H15 N3 O S | | SMILES: | Cc1nc(sn1)N1CC(C)OC(C)C1 | | InChi: | InChI=1S/C9H15N3OS/c1-6-4-12(5-7(2)13-6)9-10-8(3)11-14-9/h6-7H,4-5H2,1-3H3/t6-,7+ | | Definition date: | 2023-06-22 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | (2R,6S)-2,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine |
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 | | X7N | | Name: | 2-methyl-1-[3-(morpholin-4-yl)propyl]-5-phenyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide | | Formula: | C26 H28 F3 N3 O2 | | SMILES: | FC(F)(F)c1cc(ccc1)NC(=O)c1cc(c2ccccc2)n(CCCN2CCOCC2)c1C | | InChi: | InChI=1S/C26H28F3N3O2/c1-19-23(25(33)30-22-10-5-9-21(17-22)26(27,28)29)18-24(20-7-3-2-4-8-20)32(19)12-6-11-31-13-15-34-16-14-31/h2-5,7-10,17-18H,6,11-16H2,1H3,(H,30,33) | | Definition date: | 2023-06-05 | | Last modified: | 2023-06-30 | | Release date: | 2023-07-05 | | Identifier: | 2-methyl-1-[3-(morpholin-4-yl)propyl]-5-phenyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide |
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 | | X9C | | Name: | ~{N}-(2-aminophenyl)-2-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)quinoline-6-carboxamide | | Formula: | C24 H19 N5 O2 | | SMILES: | CN1C=C(c2ccc3cc(ccc3n2)C(=O)Nc4ccccc4N)c5cc[nH]c5C1=O | | InChi: | InChI=1S/C24H19N5O2/c1-29-13-17(16-10-11-26-22(16)24(29)31)20-9-6-14-12-15(7-8-19(14)27-20)23(30)28-21-5-3-2-4-18(21)25/h2-13,26H,25H2,1H3,(H,28,30) | | Definition date: | 2023-06-06 | | Last modified: | 2023-06-30 | | Release date: | 2023-07-05 | | Identifier: | ~{N}-(2-aminophenyl)-2-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)quinoline-6-carboxamide |
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 | | ZI3 | | Name: | N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide | | Formula: | C22 H23 Cl N2 O3 | | SMILES: | O=C(NC1(COC1)c1ccc(Cl)cc1)c1cccc2N(CCCc21)C(=O)CC | | InChi: | InChI=1S/C22H23ClN2O3/c1-2-20(26)25-12-4-6-17-18(5-3-7-19(17)25)21(27)24-22(13-28-14-22)15-8-10-16(23)11-9-15/h3,5,7-11H,2,4,6,12-14H2,1H3,(H,24,27) | | Definition date: | 2023-06-23 | | Last modified: | 2023-06-30 | | Release date: | 2023-07-05 | | Identifier: | N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide |
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 | | TW6 | | Name: | [(1'R)-6'-hydroxy-1'-{4-[2-(methylamino)ethoxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone | | Formula: | C27 H28 N2 O3 | | SMILES: | CNCCOc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C(=O)c1ccccc1 | | InChi: | InChI=1S/C27H28N2O3/c1-28-15-16-32-23-10-7-19(8-11-23)25-24-12-9-22(30)17-21(24)18-27(13-14-27)29(25)26(31)20-5-3-2-4-6-20/h2-12,17,25,28,30H,13-16,18H2,1H3/t25-/m1/s1 | | Definition date: | 2022-07-28 | | Last modified: | 2023-06-30 | | Release date: | 2023-07-05 | | Identifier: | [(1'R)-6'-hydroxy-1'-{4-[2-(methylamino)ethoxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone |
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 | | UI0 | | Name: | (2R)-2-[(3S,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-4-(prop-2-en-1-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate | | Formula: | C40 H46 F N5 O8 | | SMILES: | CC(COC(=O)Nc1cc2ccccc2cn1)C1OC(=O)C2CCCN2C(=O)c2nc(oc2)CC(F)CC(O)C=C(C)C=CCNC(=O)C=CC1CC=C | | InChi: | InChI=1S/C40H46FN5O8/c1-4-9-27-14-15-35(48)42-16-7-10-25(2)18-31(47)20-30(41)21-36-44-32(24-52-36)38(49)46-17-8-13-33(46)39(50)54-37(27)26(3)23-53-40(51)45-34-19-28-11-5-6-12-29(28)22-43-34/h4-7,10-12,14-15,18-19,22,24,26-27,30-31,33,37,47H,1,8-9,13,16-17,20-21,23H2,2-3H3,(H,42,48)(H,43,45,51)/b10-7+,15-14+,25-18+/t26-,27-,30-,31-,33-,37-/m1/s1 | | Definition date: | 2022-08-18 | | Last modified: | 2023-06-23 | | Release date: | 2023-06-28 | | Identifier: | (2R)-2-[(3S,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-4-(prop-2-en-1-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate |
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 | | UIU | | Name: | N-acetyl-L-tyrosyl-N-[(3M)-3-(1-{4-[(3aS,4R,7S,9R,10R,11R,13R,15R,15aR)-4-ethyl-7-fluoro-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}dodecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-1(4H)-yl]butyl}-1H-1,2,3-triazol-4-yl)phenyl]-L-methioninamide | | Formula: | C59 H85 F N8 O14 S | | SMILES: | Oc1ccc(cc1)CC(NC(C)=O)C(=O)NC(CCSC)C(=O)Nc1cccc(c1)c1cn(nn1)CCCCN1C(=O)OC2(C)C(OC(=O)C(C)(F)C(=O)C(C)C(OC3OC(C)CC(N(C)C)C3O)C(C)(OC)CC(C)C(=O)C(C)C12)CC | | InChi: | InChI=1S/C59H85FN8O14S/c1-14-46-59(9)49(35(4)47(71)33(2)31-57(7,78-12)51(36(5)50(73)58(8,60)55(76)80-46)81-54-48(72)45(66(10)11)28-34(3)79-54)68(56(77)82-59)26-16-15-25-67-32-44(64-65-67)39-18-17-19-40(30-39)62-52(74)42(24-27-83-13)63-53(75)43(61-37(6)69)29-38-20-22-41(70)23-21-38/h17-23,30,32-36,42-43,45-46,48-49,51,54,70,72H,14-16,24-29,31H2,1-13H3,(H,61,69)(H,62,74)(H,63,75)/t33-,34-,35+,36+,42+,43+,45+,46-,48-,49-,51-,54+,57-,58+,59-/m1/s1 | | Synonyms: | L-linker solithromycin conjugate | | Definition date: | 2022-08-19 | | Last modified: | 2023-06-23 | | Release date: | 2023-06-28 | | Identifier: | N-acetyl-L-tyrosyl-N-[(3M)-3-(1-{4-[(3aS,4R,7S,9R,10R,11R,13R,15R,15aR)-4-ethyl-7-fluoro-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}dodecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-1(4H)-yl]butyl}-1H-1,2,3-triazol-4-yl)phenyl]-L-methioninamide |
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 | | YBP | | Name: | ~{N}-(8-chloranylquinolin-2-yl)propanamide | | Formula: | C12 H11 Cl N2 O | | SMILES: | CCC(=O)Nc1ccc2cccc(Cl)c2n1 | | InChi: | InChI=1S/C12H11ClN2O/c1-2-11(16)14-10-7-6-8-4-3-5-9(13)12(8)15-10/h3-7H,2H2,1H3,(H,14,15,16) | | Definition date: | 2023-06-13 | | Last modified: | 2023-06-23 | | Release date: | 2023-06-28 | | Identifier: | ~{N}-(8-chloranylquinolin-2-yl)propanamide |
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 | | U26 | | Name: | (3P)-1-[(4-fluorophenyl)methyl]-3-(isoquinolin-4-yl)imidazolidine-2,4-dione | | Formula: | C19 H14 F N3 O2 | | SMILES: | Fc1ccc(CN2CC(=O)N(C2=O)c2cncc3ccccc32)cc1 | | InChi: | InChI=1S/C19H14FN3O2/c20-15-7-5-13(6-8-15)11-22-12-18(24)23(19(22)25)17-10-21-9-14-3-1-2-4-16(14)17/h1-10H,11-12H2 | | Definition date: | 2022-08-02 | | Last modified: | 2023-06-23 | | Release date: | 2023-06-28 | | Identifier: | (3P)-1-[(4-fluorophenyl)methyl]-3-(isoquinolin-4-yl)imidazolidine-2,4-dione |
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 | | U2B | | Name: | (1P,1'R)-1-(isoquinolin-4-yl)-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione | | Formula: | C20 H15 N3 O2 | | SMILES: | O=C1N(C(=O)NC21CCc1ccccc12)c1cncc2ccccc21 | | InChi: | InChI=1S/C20H15N3O2/c24-18-20(10-9-13-5-2-4-8-16(13)20)22-19(25)23(18)17-12-21-11-14-6-1-3-7-15(14)17/h1-8,11-12H,9-10H2,(H,22,25)/t20-/m1/s1 | | Definition date: | 2022-08-02 | | Last modified: | 2023-06-23 | | Release date: | 2023-06-28 | | Identifier: | (1P,1'R)-1-(isoquinolin-4-yl)-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione |
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 | | U2I | | Name: | (2S)-N-(isoquinolin-4-yl)-2-methyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide | | Formula: | C20 H19 N3 O2 | | SMILES: | O=C(Nc1cncc2ccccc21)N1Cc2ccccc2OC(C)C1 | | InChi: | InChI=1S/C20H19N3O2/c1-14-12-23(13-16-7-3-5-9-19(16)25-14)20(24)22-18-11-21-10-15-6-2-4-8-17(15)18/h2-11,14H,12-13H2,1H3,(H,22,24)/t14-/m0/s1 | | Definition date: | 2022-08-02 | | Last modified: | 2023-06-23 | | Release date: | 2023-06-28 | | Identifier: | (2S)-N-(isoquinolin-4-yl)-2-methyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
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 | | KZ0 | | Name: | 2,4,6-tris(chloromethyl)-1,3,5-triazine | | Formula: | C6 H6 Cl3 N3 | | SMILES: | ClCc1nc(CCl)nc(CCl)n1 | | InChi: | InChI=1S/C6H6Cl3N3/c7-1-4-10-5(2-8)12-6(3-9)11-4/h1-3H2 | | Synonyms: | Chemical crosslinker | | Definition date: | 2022-06-08 | | Last modified: | 2023-06-23 | | Release date: | 2023-06-28 | | Identifier: | 2,4,6-tris(chloromethyl)-1,3,5-triazine |
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 | | USL | | Name: | 3-carboxy-1-cyclopropyl-6-fluoro-7-(4-beta-D-glucopyranuronosyl-3,4-dihydropyrazin-1(2H)-yl)-4-oxo-1,4-dihydroquinoline | | Formula: | C23 H24 F N3 O9 | | SMILES: | O=C(O)C1=CN(C2CC2)c2cc(c(F)cc2C1=O)N1CCN(C=C1)C1OC(C(O)C(O)C1O)C(=O)O | | InChi: | InChI=1S/C23H24FN3O9/c24-13-7-11-14(27(10-1-2-10)9-12(16(11)28)22(32)33)8-15(13)25-3-5-26(6-4-25)21-19(31)17(29)18(30)20(36-21)23(34)35/h3,5,7-10,17-21,29-31H,1-2,4,6H2,(H,32,33)(H,34,35)/t17-,18-,19+,20-,21+/m0/s1 | | Definition date: | 2022-08-24 | | Last modified: | 2023-06-16 | | Release date: | 2023-06-21 | | Identifier: | 3-carboxy-1-cyclopropyl-6-fluoro-7-(4-beta-D-glucopyranuronosyl-3,4-dihydropyrazin-1(2H)-yl)-4-oxo-1,4-dihydroquinoline |
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 | | WML | | Name: | (3S,4R)-6-bromo-3-hexyl-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid | | Formula: | C16 H20 Br N O3 | | SMILES: | O=C(O)C1c2cc(Br)ccc2NC(=O)C1CCCCCC | | InChi: | InChI=1S/C16H20BrNO3/c1-2-3-4-5-6-11-14(16(20)21)12-9-10(17)7-8-13(12)18-15(11)19/h7-9,11,14H,2-6H2,1H3,(H,18,19)(H,20,21)/t11-,14+/m0/s1 | | Definition date: | 2023-05-15 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (3S,4R)-6-bromo-3-hexyl-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid |
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 | | W90 | | Name: | 5-(3,5-dichloroanilino)-3,3-dimethyl-5-oxopentanoic acid | | Formula: | C13 H15 Cl2 N O3 | | SMILES: | Clc1cc(NC(=O)CC(C)(C)CC(=O)O)cc(Cl)c1 | | InChi: | InChI=1S/C13H15Cl2NO3/c1-13(2,7-12(18)19)6-11(17)16-10-4-8(14)3-9(15)5-10/h3-5H,6-7H2,1-2H3,(H,16,17)(H,18,19) | | Definition date: | 2023-05-09 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 5-(3,5-dichloroanilino)-3,3-dimethyl-5-oxopentanoic acid |
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 | | WA4 | | Name: | 5,7-bis[(trifluoromethyl)sulfanyl]quinolin-8-ol | | Formula: | C11 H5 F6 N O S2 | | SMILES: | FC(F)(F)Sc1cc(SC(F)(F)F)c2cccnc2c1O | | InChi: | InChI=1S/C11H5F6NOS2/c12-10(13,14)20-6-4-7(21-11(15,16)17)9(19)8-5(6)2-1-3-18-8/h1-4,19H | | Definition date: | 2023-05-09 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 5,7-bis[(trifluoromethyl)sulfanyl]quinolin-8-ol |
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 | | WDE | | Name: | 3-{[(E)-anilino(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]sulfanyl}propanoic acid | | Formula: | C18 H16 N2 O3 S | | SMILES: | O=C(O)CCSC(Nc1ccccc1)=C1/c2ccccc2NC1=O | | InChi: | InChI=1S/C18H16N2O3S/c21-15(22)10-11-24-18(19-12-6-2-1-3-7-12)16-13-8-4-5-9-14(13)20-17(16)23/h1-9,19H,10-11H2,(H,20,23)(H,21,22)/b18-16+ | | Definition date: | 2023-05-12 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 3-{[(E)-anilino(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]sulfanyl}propanoic acid |
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 | | WE6 | | Name: | 1-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-D-proline | | Formula: | C19 H22 N4 O4 S | | SMILES: | O=C(O)C1CCCN1C(=O)Nc1sc2CCCCc2c1c1nc(no1)C1CC1 | | InChi: | InChI=1S/C19H22N4O4S/c24-18(25)12-5-3-9-23(12)19(26)21-17-14(11-4-1-2-6-13(11)28-17)16-20-15(22-27-16)10-7-8-10/h10,12H,1-9H2,(H,21,26)(H,24,25)/t12-/m1/s1 | | Definition date: | 2023-05-12 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 1-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-D-proline |
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 | | VJ3 | | Name: | 1-[([1,1'-biphenyl]-2-yl)carbamoyl]-D-proline | | Formula: | C18 H18 N2 O3 | | SMILES: | OC(=O)C1CCCN1C(=O)Nc1ccccc1c1ccccc1 | | InChi: | InChI=1S/C18H18N2O3/c21-17(22)16-11-6-12-20(16)18(23)19-15-10-5-4-9-14(15)13-7-2-1-3-8-13/h1-5,7-10,16H,6,11-12H2,(H,19,23)(H,21,22)/t16-/m0/s1 | | Definition date: | 2023-05-09 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 1-[([1,1'-biphenyl]-2-yl)carbamoyl]-D-proline |
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 | | UOF | | Name: | 1-[(4,6-dichloro[1,1'-biphenyl]-2-yl)carbamoyl]-D-proline | | Formula: | C18 H16 Cl2 N2 O3 | | SMILES: | OC(=O)C1CCCN1C(=O)Nc1cc(Cl)cc(Cl)c1c1ccccc1 | | InChi: | InChI=1S/C18H16Cl2N2O3/c19-12-9-13(20)16(11-5-2-1-3-6-11)14(10-12)21-18(25)22-8-4-7-15(22)17(23)24/h1-3,5-6,9-10,15H,4,7-8H2,(H,21,25)(H,23,24)/t15-/m1/s1 | | Definition date: | 2023-05-09 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 1-[(4,6-dichloro[1,1'-biphenyl]-2-yl)carbamoyl]-D-proline |
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 | | WHR | | Name: | 6-chloro-4-[(2-chlorophenyl)methyl]-2-methylquinoline-3-carboxylic acid | | Formula: | C18 H13 Cl2 N O2 | | SMILES: | Clc1ccccc1Cc1c2cc(Cl)ccc2nc(C)c1C(=O)O | | InChi: | InChI=1S/C18H13Cl2NO2/c1-10-17(18(22)23)14(8-11-4-2-3-5-15(11)20)13-9-12(19)6-7-16(13)21-10/h2-7,9H,8H2,1H3,(H,22,23) | | Definition date: | 2023-05-12 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 6-chloro-4-[(2-chlorophenyl)methyl]-2-methylquinoline-3-carboxylic acid |
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 | | VLQ | | Name: | 6-chloro-4-phenyl-2-(propan-2-yl)quinoline-3-carboxylic acid | | Formula: | C19 H16 Cl N O2 | | SMILES: | O=C(O)c1c(c2cc(Cl)ccc2nc1C(C)C)c1ccccc1 | | InChi: | InChI=1S/C19H16ClNO2/c1-11(2)18-17(19(22)23)16(12-6-4-3-5-7-12)14-10-13(20)8-9-15(14)21-18/h3-11H,1-2H3,(H,22,23) | | Definition date: | 2023-05-09 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 6-chloro-4-phenyl-2-(propan-2-yl)quinoline-3-carboxylic acid |
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 | | VM3 | | Name: | 5-[1-(4-chlorophenyl)cyclopropyl]imidazo[2,1-a]isoquinoline | | Formula: | C20 H15 Cl N2 | | SMILES: | Clc1ccc(cc1)C2(CC2)c3cc4ccccc4c5nccn35 | | InChi: | InChI=1S/C20H15ClN2/c21-16-7-5-15(6-8-16)20(9-10-20)18-13-14-3-1-2-4-17(14)19-22-11-12-23(18)19/h1-8,11-13H,9-10H2 | | Definition date: | 2023-03-20 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 5-[1-(4-chlorophenyl)cyclopropyl]imidazo[2,1-a]isoquinoline |
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 | | VM8 | | Name: | 5-(2-methyl-1-phenyl-propan-2-yl)imidazo[2,1-a]isoquinoline | | Formula: | C21 H20 N2 | | SMILES: | CC(C)(Cc1ccccc1)c2cc3ccccc3c4nccn24 | | InChi: | InChI=1S/C21H20N2/c1-21(2,15-16-8-4-3-5-9-16)19-14-17-10-6-7-11-18(17)20-22-12-13-23(19)20/h3-14H,15H2,1-2H3 | | Definition date: | 2023-03-20 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 5-(2-methyl-1-phenyl-propan-2-yl)imidazo[2,1-a]isoquinoline |
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