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Anti-infective targets

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  1. , Plasmodium falciparum elongation factor 2
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    DDD107498, Plasmodium falciparum elongation factor 2
    Cas Number: 1469439-69-7
    Formula:  C27H31FN4O2        Molecular Weight: 462.56
    IUPAC Name:  6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
    SMILES:  C1CCN(C1)CCNC(=O)C2=CC(=NC3=C2C=C(C=C3)F)C4=CC=C(C=C4)CN5CCOCC5
    InChIKey: BENUHBSJOJMZEE-UHFFFAOYSA-N
    InChI:  InChI=1S/C27H31FN4O2/c28-22-7-8-25-23(17-22)24(27(33)29-9-12-31-10-1-2-11-31)18-26(30-25)21-5-3-20(4-6-21)19-32-13-15-34-16-14-32/h3-8,17-18H,1-2,9-16show more
    Synonyms: NCGC00490685-01 | DDD498 | E3OC1CU1F4 | 6-Fluoro-2-(4-(4-morpholinylmethyl)phenyl)-N-(2-(1-pyrrolidinyl)ethyl)-4-quin...
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    ((1R,3s,5S)-Bicyclo[3.3.1]nonan-3-yl)methyl ((S)-4-Methyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)pentan-2-yl)carbamate
    IUPAC Name:  ((1R,3s,5S)-Bicyclo[3.3.1]nonan-3-yl)methyl ((S)-4-Methyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)pentan-2-yl)carbamate
    SMILES:  O=C[C@@H](NC(=O)[C@@H](NC(=O)OCC1C[C@@H]2CCC[C@H](C1)C2)CC(C)C)C[C@@H]1CCNC1=O
    InChIKey: YHWWOAJOMPQXED-LEDIMMKISA-N
    InChI:  InChI=1S/C24H39N3O5/c1-15(2)8-21(23(30)26-20(13-28)12-19-6-7-25-22(19)29)27-24(31)32-14-18-10-16-4-3-5-17(9-16)11-18/h13,15-21H,3-12,14H2,1-2H3,(H,25,show more
    Synonyms: compound 2a
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    (1R,2S)-1-hydroxy-2-[[(2S)-4-methyl-2-[(7-methylsulfonyl-7-azaspiro[3.5]nonan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
    IUPAC Name:  (1R,2S)-1-hydroxy-2-[[(2S)-4-methyl-2-[(7-methylsulfonyl-7-azaspiro[3.5]nonan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propshow more
    SMILES:  O[C@@H]([C@H](C[C@H]1C(=O)NCC1)NC(=O)[C@@H](NC(=O)OC1CC2(C1)CCN(CC2)S(=O)(=O)C)CC(C)C)S(=O)(=O)O
    InChIKey: DXHKTWBJEAVWSD-QUJKESNLSA-N
    InChI:  InChI=1S/C23H40N4O10S2/c1-14(2)10-17(20(29)25-18(21(30)39(34,35)36)11-15-4-7-24-19(15)28)26-22(31)37-16-12-23(13-16)5-8-27(9-6-23)38(3,32)33/h14-18,21show more
    Synonyms: compound 10c
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    (3S)-3-{[N-(4-Methoxy-1H-indole-2-carbonyl)-l-leucyl]amino}-2-oxo-4-[(3S)-2-oxopiperidin-3-yl]butyl 2,4,6-Trimethylpyridine-3-carboxylate
    IUPAC Name:  (3S)-3-{[N-(4-Methoxy-1H-indole-2-carbonyl)-l-leucyl]amino}-2-oxo-4-[(3S)-2-oxopiperidin-3-yl]butyl 2,4,6-Trimethylpyridine-3-carboxylate
    SMILES:  COc1cccc2c1cc([nH]2)C(=O)N[C@H](C(=O)N[C@H](C(=O)COC(=O)c1c(C)cc(nc1C)C)C[C@@H]1CCCNC1=O)CC(C)C
    InChIKey: DVFMRMSQBLLRFB-HRNNMHKYSA-N
    InChI:  InChI=1S/C34H43N5O7/c1-18(2)13-26(39-33(43)27-16-23-24(37-27)10-7-11-29(23)45-6)32(42)38-25(15-22-9-8-12-35-31(22)41)28(40)17-46-34(44)30-19(3)14-20(4show more
    Synonyms: compound 15l
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    (3S,4S)-N-(3-cyano-4-fluorophenyl)-3-(6-cyclopropyloxypyridin-3-yl)-1-oxo-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinoline-4-carboxamide
    Cas Number: 2724247-62-3        Compound CID:  157022436
    IUPAC Name:  (3S,4S)-N-(3-cyano-4-fluorophenyl)-3-(6-cyclopropyloxypyridin-3-yl)-1-oxo-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinoline-4-carboxamide
    SMILES:  C1CC1Oc1ncc(cc1)[C@@H]1[C@H](c2ccccc2C(=O)N1CC(F)(F)F)C(=O)Nc1cc(c(cc1)F)C#N
    InChIKey: KYICPNWURYGJCB-BJKOFHAPSA-N
    InChI:  InChI=1S/C27H20F4N4O3/c28-21-9-6-17(11-16(21)12-32)34-25(36)23-19-3-1-2-4-20(19)26(37)35(14-27(29,30)31)24(23)15-5-10-22(33-13-15)38-18-7-8-18/h1-6,9-show more
    Synonyms: compound 1a
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    (4,4-difluorocyclohexyl)(phenyl)methyl N-[(1S)-1-{[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-[(sodiooxy)sulfonyl]propan-2-yl]carbamoyl}-3-methylbutyl]carbamate
    IUPAC Name:  (4,4-difluorocyclohexyl)(phenyl)methyl N-[(1S)-1-{[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-[(sodiooxy)sulfonyl]propan-2-yl]carbamoyl}-3-methylbshow more
    SMILES:  O=C(N[C@H](C(=O)N[C@H](C(S(=O)(=O)O[Na])O)C[C@H]1C(=O)NCC1)CC(C)C)OC(C1CCC(F)(F)CC1)c1ccccc1
    InChIKey: DVWOYOSIEJRHKW-UIRZNSHLSA-M
    InChI:  InChI=1S/C27H39F2N3O8S.Na/c1-16(2)14-20(24(34)31-21(25(35)41(37,38)39)15-19-10-13-30-23(19)33)32-26(36)40-22(17-6-4-3-5-7-17)18-8-11-27(28,29)12-9-18;show more
    Synonyms: compound 15c
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    (4,4-difluorocyclohexyl)methyl N-[(1S)-3-methyl-1-{[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamoyl}butyl]carbamate
    IUPAC Name:  (4,4-difluorocyclohexyl)methyl N-[(1S)-3-methyl-1-{[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamoyl}butyl]carbamate
    SMILES:  O=C[C@@H](NC(=O)[C@@H](NC(=O)OCC1CCC(CC1)(F)F)CC(C)C)C[C@@H]1CCNC1=O
    InChIKey: COXVPYKZDDKVRF-ULQDDVLXSA-N
    InChI:  InChI=1S/C21H33F2N3O5/c1-13(2)9-17(19(29)25-16(11-27)10-15-5-8-24-18(15)28)26-20(30)31-12-14-3-6-21(22,23)7-4-14/h11,13-17H,3-10,12H2,1-2H3,(H,24,28)(show more
    Synonyms: compound 6j
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    (2S)-2-{[(1S,3aR,6aS)-2-(1H-indole-2-carbonyl)-octahydrocyclopenta[c]pyrrol-1-yl]formamido}-1-hydroxy-3-[(3S)-2-oxopiperidin-3-yl]propane-1-sulfonic acid
    IUPAC Name:  (2S)-2-{[(1S,3aR,6aS)-2-(1H-indole-2-carbonyl)-octahydrocyclopenta[c]pyrrol-1-yl]formamido}-1-hydroxy-3-[(3S)-2-oxopiperidin-3-yl]propane-1-sulfonic ashow more
    SMILES:  [nH]1c(cc2ccccc12)C(=O)N1[C@@H]([C@@H]2[C@H](C1)CCC2)C(=O)N[C@H](C(S(=O)(=O)O)O)C[C@H]1C(=O)NCCC1
    InChIKey: YRZQYTTUZBVUFK-KVAWWVGVSA-N
    InChI:  InChI=1S/C25H32N4O7S/c30-22-15(7-4-10-26-22)12-20(25(33)37(34,35)36)28-23(31)21-17-8-3-6-16(17)13-29(21)24(32)19-11-14-5-1-2-9-18(14)27-19/h1-2,5,9,11show more
    Synonyms: compound 58
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    (2S)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropyl-2-[4-methyl-2-oxo-3-(2,2,2-trifluoroethylamino)pyridin-1-yl]propanamide
    IUPAC Name:  (2S)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropyl-2-[4-methyl-2-oxo-3-(2,2,2-trifluoroethylamino)pyridin-1-yl]propanamide
    SMILES:  Cc1c(NCC(F)(F)F)c(=O)n(cc1)[C@@H](CC1CC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
    InChIKey: SYZOFRXZMALRGI-JYJNAYRXSA-N
    InChI:  InChI=1S/C21H26F3N5O3/c1-12-5-7-29(20(32)17(12)27-11-21(22,23)24)16(8-13-2-3-13)19(31)28-15(10-25)9-14-4-6-26-18(14)30/h5,7,13-16,27H,2-4,6,8-9,11H2,1show more
    Synonyms: compound 451
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    (S)-N-Benzyl-3-((S)-2-cinnamamido-3-cyclohexylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide
    IUPAC Name:  (S)-N-Benzyl-3-((S)-2-cinnamamido-3-cyclohexylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide
    SMILES:  O=C(N[C@H](C(=O)N[C@H](C(=O)C(=O)NCc1ccccc1)C[C@@H]1CCNC1=O)CC1CCCCC1)/C=C/c1ccccc1
    InChIKey: QTGORSKTHIBLJT-FIVJMQNTSA-N
    InChI:  InChI=1S/C33H40N4O5/c38-29(17-16-23-10-4-1-5-11-23)36-28(20-24-12-6-2-7-13-24)32(41)37-27(21-26-18-19-34-31(26)40)30(39)33(42)35-22-25-14-8-3-9-15-25/show more
    Synonyms: Cinnamoyl-cyclopropylalanine-GlnLactam-CO-CO-NH-benzyl | compound 11r
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    2-(2-chlorophenyl)-7-(isoquinolin-4-yl)-5,7-diazaspiro[3.4]octane-6,8-dione
    Cas Number: 2757286-41-0        Compound CID:  162679543
    IUPAC Name:  2-(2-chlorophenyl)-7-(isoquinolin-4-yl)-5,7-diazaspiro[3.4]octane-6,8-dione
    SMILES:  Clc1c(cccc1)C1CC2(C1)NC(=O)N(C2=O)c1c2ccccc2cnc1
    InChIKey: XQFMLNUPNCXPRN-UHFFFAOYSA-N
    InChI:  InChI=1S/C21H16ClN3O2/c22-17-8-4-3-6-15(17)14-9-21(10-14)19(26)25(20(27)24-21)18-12-23-11-13-5-1-2-7-16(13)18/h1-8,11-12,14H,9-10H2,(H,24,27)
    Synonyms: compound 19
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    2,6-diamino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-5-[3-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-1-yl]pyridine-3-carboxamide
    Cas Number: 2675491-09-3        Compound CID:  156808501
    IUPAC Name:  2,6-diamino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-5-[3-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-1-yl]pyridine-3-carboxamide
    SMILES:  Nc1c(C(=O)NCc2ccc(cc2)OCC(F)(F)F)cc(c(n1)N)n1nc(nc1)C1(CC1)C(F)(F)F
    InChIKey: FIWILGQIZHDAQG-UHFFFAOYSA-N
    InChI:  InChI=1S/C21H19F6N7O2/c22-20(23,24)9-36-12-3-1-11(2-4-12)8-30-17(35)13-7-14(16(29)32-15(13)28)34-10-31-18(33-34)19(5-6-19)21(25,26)27/h1-4,7,10H,5-6,8show more
    Synonyms: compound VII
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