| EER | Name: | (2R)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid | Formula: | C10 H17 N O3 S | SMILES: | C[CH](CS)C(=O)N1CCCC[CH]1C(O)=O | InChi: | InChI=1S/C10H17NO3S/c1-7(6-15)9(12)11-5-3-2-4-8(11)10(13)14/h7-8,15H,2-6H2,1H3,(H,13,14)/t7-,8-/m1/s1 | Definition date: | 2019-12-17 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | (2~{R})-1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid |
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| EEX | Name: | (1R)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid | Formula: | C14 H17 N O3 S | SMILES: | C[CH](CS)C(=O)N1CCc2ccccc2[CH]1C(O)=O | InChi: | InChI=1S/C14H17NO3S/c1-9(8-19)13(16)15-7-6-10-4-2-3-5-11(10)12(15)14(17)18/h2-5,9,12,19H,6-8H2,1H3,(H,17,18)/t9-,12-/m1/s1 | Definition date: | 2019-12-17 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | (1~{R})-2-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1~{H}-isoquinoline-1-carboxylic acid |
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| EF0 | Name: | 1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxylic acid | Formula: | C10 H17 N O3 S | SMILES: | C[CH](CS)C(=O)N1CCC(CC1)C(O)=O | InChi: | InChI=1S/C10H17NO3S/c1-7(6-15)9(12)11-4-2-8(3-5-11)10(13)14/h7-8,15H,2-6H2,1H3,(H,13,14)/t7-/m1/s1 | Definition date: | 2019-12-17 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | 1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxylic acid |
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| EF9 | Name: | (3S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-3-carboxylic acid | Formula: | C10 H17 N O3 S | SMILES: | C[CH](CS)C(=O)N1CCC[CH](C1)C(O)=O | InChi: | InChI=1S/C10H17NO3S/c1-7(6-15)9(12)11-4-2-3-8(5-11)10(13)14/h7-8,15H,2-6H2,1H3,(H,13,14)/t7-,8+/m1/s1 | Definition date: | 2019-12-17 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | (3~{S})-1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidine-3-carboxylic acid |
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| EFF | Name: | 1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxamide | Formula: | C10 H18 N2 O2 S | SMILES: | C[CH](CS)C(=O)N1CCC(CC1)C(N)=O | InChi: | InChI=1S/C10H18N2O2S/c1-7(6-15)10(14)12-4-2-8(3-5-12)9(11)13/h7-8,15H,2-6H2,1H3,(H2,11,13)/t7-/m1/s1 | Definition date: | 2019-12-17 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | 1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxamide |
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| EFR | Name: | 2-[1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanamide | Formula: | C11 H20 N2 O2 S | SMILES: | C[CH](CS)C(=O)N1CCC(CC1)CC(N)=O | InChi: | InChI=1S/C11H20N2O2S/c1-8(7-16)11(15)13-4-2-9(3-5-13)6-10(12)14/h8-9,16H,2-7H2,1H3,(H2,12,14)/t8-/m1/s1 | Definition date: | 2019-12-17 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | 2-[1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanamide |
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| EG0 | Name: | 2-[1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanoic acid | Formula: | C11 H19 N O3 S | SMILES: | C[CH](CS)C(=O)N1CCC(CC1)CC(O)=O | InChi: | InChI=1S/C11H19NO3S/c1-8(7-16)11(15)12-4-2-9(3-5-12)6-10(13)14/h8-9,16H,2-7H2,1H3,(H,13,14)/t8-/m1/s1 | Definition date: | 2019-12-17 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | 2-[1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanoic acid |
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| GXO | Name: | [1,1,1-tris(fluoranyl)-2-methyl-propan-2-yl] ~{N}-[(1~{S},4~{R},6~{S},7~{Z},11~{R},13~{R},14~{S},18~{R})-13-ethyl-18-(7-fluoranyl-6-methoxy-isoquinolin-1-yl)oxy-11-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-bis(oxidanylidene)-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-en-14-yl]carbamate | Formula: | C40 H51 F4 N5 O9 S | SMILES: | CC[CH]1C[CH](C)CCC=C[CH]2C[C]2(NC(=O)[CH]3C[CH](CN3C(=O)[CH]1NC(=O)OC(C)(C)C(F)(F)F)Oc4nccc5cc(OC)c(F)cc45)C(=O)N[S](=O)(=O)C6(C)CC6 | InChi: | InChI=1S/C40H51F4N5O9S/c1-7-23-16-22(2)10-8-9-11-25-20-39(25,35(52)48-59(54,55)38(5)13-14-38)47-32(50)29-18-26(57-33-27-19-28(41)30(56-6)17-24(27)12-15-45-33)21-49(29)34(51)31(23)46-36(53)58-37(3,4)40(42,43)44/h9,11-12,15,17,19,22-23,25-26,29,31H,7-8,10,13-14,16,18,20-21H2,1-6H3,(H,46,53)(H,47,50)(H,48,52)/b11-9-/t22-,23-,25-,26-,29+,31+,39-/m1/s1 | Definition date: | 2020-10-06 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | [1,1,1-tris(fluoranyl)-2-methyl-propan-2-yl] ~{N}-[(1~{S},4~{R},6~{S},7~{Z},11~{R},13~{R},14~{S},18~{R})-13-ethyl-18-(7-fluoranyl-6-methoxy-isoquinolin-1-yl)oxy-11-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-bis(oxidanylidene)-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-en-14-yl]carbamate |
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| NEK | Name: | 3-[(~{E})-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid | Formula: | C10 H11 N O4 | SMILES: | OC(=O)CCON=Cc1ccc(O)cc1 | InChi: | InChI=1S/C10H11NO4/c12-9-3-1-8(2-4-9)7-11-15-6-5-10(13)14/h1-4,7,12H,5-6H2,(H,13,14)/b11-7+ | Definition date: | 2019-11-26 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | 3-[(~{E})-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid |
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| EKX | Name: | (1S)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid | Formula: | C14 H17 N O3 S | SMILES: | C[CH](CS)C(=O)N1CCc2ccccc2[CH]1C(O)=O | InChi: | InChI=1S/C14H17NO3S/c1-9(8-19)13(16)15-7-6-10-4-2-3-5-11(10)12(15)14(17)18/h2-5,9,12,19H,6-8H2,1H3,(H,17,18)/t9-,12+/m1/s1 | Definition date: | 2020-01-09 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | (1~{S})-2-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1~{H}-isoquinoline-1-carboxylic acid |
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| VGY | Name: | 2-[5-(3-chloro-4-{[(1R)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol | Formula: | C24 H22 Cl F N4 O | SMILES: | n1c(C(C)(C)O)ncc(c1)c3cc4c(NC(C)c2c(cccc2)F)c(Cl)cnc4cc3 | InChi: | InChI=1S/C24H22ClFN4O/c1-14(17-6-4-5-7-20(17)26)30-22-18-10-15(8-9-21(18)27-13-19(22)25)16-11-28-23(29-12-16)24(2,3)31/h4-14,31H,1-3H3,(H,27,30)/t14-/m1/s1 | Definition date: | 2020-08-12 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | 2-[5-(3-chloro-4-{[(1R)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol |
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| KXK | Name: | ~{N}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | Formula: | C24 H31 N3 O5 S | SMILES: | COc1ccc(cc1NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)[S](=O)(=O)N4CCCCCC4 | InChi: | InChI=1S/C24H31N3O5S/c1-16-22-18(9-5-6-10-20(22)28)23(25-16)24(29)26-19-15-17(11-12-21(19)32-2)33(30,31)27-13-7-3-4-8-14-27/h11-12,15,25H,3-10,13-14H2,1-2H3,(H,26,29) | Definition date: | 2019-07-03 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | ~{N}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide |
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| QOG | Name: | 5-{[(propan-2-yl)carbamoyl]amino}-1,3,4-thiadiazole-2-sulfonamide | Formula: | C6 H11 N5 O3 S2 | SMILES: | C(C)(C)NC(=O)Nc1sc(S(N)(=O)=O)nn1 | InChi: | InChI=1S/C6H11N5O3S2/c1-3(2)8-4(12)9-5-10-11-6(15-5)16(7,13)14/h3H,1-2H3,(H2,7,13,14)(H2,8,9,10,12) | Definition date: | 2019-12-02 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | 5-{[(propan-2-yl)carbamoyl]amino}-1,3,4-thiadiazole-2-sulfonamide |
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| X3P | Name: | [(2~{R})-1-octanoyloxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propan-2-yl] nonanoate | Formula: | C25 H51 N O8 P | SMILES: | CCCCCCCCC(=O)O[CH](COC(=O)CCCCCCC)CO[P](O)(=O)OCC[N](C)(C)C | InChi: | InChI=1S/C25H51NO8P/c1-6-8-10-12-14-16-18-25(28)34-23(21-31-24(27)17-15-13-11-9-7-2)22-33-35(29,30)32-20-19-26(3,4)5/h23H,6-22H2,1-5H3,(H,29,30)/t23-/m1/s1 | Definition date: | 2020-11-24 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | [(2~{R})-1-octanoyloxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propan-2-yl] nonanoate |
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| VEG | Name: | ethyl N-[(2R)-2-[(4-tert-butylphenyl)(propanoyl)amino]-2-(pyridin-3-yl)acetyl]-beta-alaninate | Formula: | C25 H33 N3 O4 | SMILES: | N(c1ccc(C(C)(C)C)cc1)(C(C(NCCC(OCC)=O)=O)c2cnccc2)C(=O)CC | InChi: | InChI=1S/C25H33N3O4/c1-6-21(29)28(20-12-10-19(11-13-20)25(3,4)5)23(18-9-8-15-26-17-18)24(31)27-16-14-22(30)32-7-2/h8-13,15,17,23H,6-7,14,16H2,1-5H3,(H,27,31)/t23-/m1/s1 | Definition date: | 2020-08-05 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | ethyl N-[(2R)-2-[(4-tert-butylphenyl)(propanoyl)amino]-2-(pyridin-3-yl)acetyl]-beta-alaninate |
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| VEJ | Name: | N-(4-tert-butylphenyl)-N-[(1R)-2-[(3-methoxypropyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide | Formula: | C24 H33 N3 O3 | SMILES: | N(CCCOC)C(=O)C(N(c1ccc(cc1)C(C)(C)C)C(CC)=O)c2cnccc2 | InChi: | InChI=1S/C24H33N3O3/c1-6-21(28)27(20-12-10-19(11-13-20)24(2,3)4)22(18-9-7-14-25-17-18)23(29)26-15-8-16-30-5/h7,9-14,17,22H,6,8,15-16H2,1-5H3,(H,26,29)/t22-/m1/s1 | Definition date: | 2020-08-05 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | N-(4-tert-butylphenyl)-N-[(1R)-2-[(3-methoxypropyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide |
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| VEM | Name: | N-(4-tert-butylphenyl)-N-[(1R)-2-[(2-methoxyethyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide | Formula: | C23 H31 N3 O3 | SMILES: | N(CCOC)C(=O)C(c1cccnc1)N(c2ccc(cc2)C(C)(C)C)C(=O)CC | InChi: | InChI=1S/C23H31N3O3/c1-6-20(27)26(19-11-9-18(10-12-19)23(2,3)4)21(17-8-7-13-24-16-17)22(28)25-14-15-29-5/h7-13,16,21H,6,14-15H2,1-5H3,(H,25,28)/t21-/m1/s1 | Definition date: | 2020-08-05 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | N-(4-tert-butylphenyl)-N-[(1R)-2-[(2-methoxyethyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide |
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| VEP | Name: | N-(4-tert-butylphenyl)-N-[(1R)-2-[(oxan-4-yl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide | Formula: | C25 H33 N3 O3 | SMILES: | N(C1CCOCC1)C(=O)C(c2cccnc2)N(c3ccc(cc3)C(C)(C)C)C(=O)CC | InChi: | InChI=1S/C25H33N3O3/c1-5-22(29)28(21-10-8-19(9-11-21)25(2,3)4)23(18-7-6-14-26-17-18)24(30)27-20-12-15-31-16-13-20/h6-11,14,17,20,23H,5,12-13,15-16H2,1-4H3,(H,27,30)/t23-/m1/s1 | Definition date: | 2020-08-05 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | N-(4-tert-butylphenyl)-N-[(1R)-2-[(oxan-4-yl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide |
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| VEV | Name: | N-(4-tert-butylphenyl)-N-[(1R)-2-(methylamino)-2-oxo-1-(pyridin-3-yl)ethyl]propanamide | Formula: | C21 H27 N3 O2 | SMILES: | N(C)C(=O)C(c1cnccc1)N(c2ccc(cc2)C(C)(C)C)C(CC)=O | InChi: | InChI=1S/C21H27N3O2/c1-6-18(25)24(17-11-9-16(10-12-17)21(2,3)4)19(20(26)22-5)15-8-7-13-23-14-15/h7-14,19H,6H2,1-5H3,(H,22,26)/t19-/m1/s1 | Definition date: | 2020-08-05 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | N-(4-tert-butylphenyl)-N-[(1R)-2-(methylamino)-2-oxo-1-(pyridin-3-yl)ethyl]propanamide |
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| VEY | Name: | N-(4-tert-butylphenyl)-N-[(1R)-2-(ethylamino)-2-oxo-1-(pyridin-3-yl)ethyl]propanamide | Formula: | C22 H29 N3 O2 | SMILES: | N(c1ccc(C(C)(C)C)cc1)(C(CC)=O)C(c2cccnc2)C(NCC)=O | InChi: | InChI=1S/C22H29N3O2/c1-6-19(26)25(18-12-10-17(11-13-18)22(3,4)5)20(21(27)24-7-2)16-9-8-14-23-15-16/h8-15,20H,6-7H2,1-5H3,(H,24,27)/t20-/m1/s1 | Definition date: | 2020-08-05 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | N-(4-tert-butylphenyl)-N-[(1R)-2-(ethylamino)-2-oxo-1-(pyridin-3-yl)ethyl]propanamide |
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| S8B | Name: | ~{N}-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide | Formula: | C16 H15 N3 O | SMILES: | CC(C)NC(=O)c1ccc(cn1)C#Cc2ccncc2 | InChi: | InChI=1S/C16H15N3O/c1-12(2)19-16(20)15-6-5-14(11-18-15)4-3-13-7-9-17-10-8-13/h5-12H,1-2H3,(H,19,20) | Definition date: | 2020-11-11 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | ~{N}-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide |
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| S8H | Name: | (2~{S})-2-azanyl-5-oxidanylidene-5-[[(2~{S})-1-oxidanylidene-1-[(2-oxidanylidene-2-propan-2-yloxy-ethyl)amino]-3-sulfanyl-propan-2-yl]amino]pentanoic acid | Formula: | C13 H23 N3 O6 S | SMILES: | CC(C)OC(=O)CNC(=O)[CH](CS)NC(=O)CC[CH](N)C(O)=O | InChi: | InChI=1S/C13H23N3O6S/c1-7(2)22-11(18)5-15-12(19)9(6-23)16-10(17)4-3-8(14)13(20)21/h7-9,23H,3-6,14H2,1-2H3,(H,15,19)(H,16,17)(H,20,21)/t8-,9+/m0/s1 | Definition date: | 2020-11-11 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | (2~{S})-2-azanyl-5-oxidanylidene-5-[[(2~{S})-1-oxidanylidene-1-[(2-oxidanylidene-2-propan-2-yloxy-ethyl)amino]-3-sulfanyl-propan-2-yl]amino]pentanoic acid |
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| S8T | Name: | 9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepine | Formula: | C17 H17 F S | SMILES: | CC(C)c1ccc2Sc3cc(F)ccc3CCc2c1 | InChi: | InChI=1S/C17H17FS/c1-11(2)13-6-8-16-14(9-13)4-3-12-5-7-15(18)10-17(12)19-16/h5-11H,3-4H2,1-2H3 | Synonyms: | Isofloxythepin | Definition date: | 2020-11-11 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | 9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepine |
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| E9X | Name: | 1-[3-[(4-chlorophenyl)-(phenylmethyl)amino]propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine | Formula: | C21 H27 Cl N6 O | SMILES: | CC1(C)N=C(N)N=C(N)N1OCCCN(Cc2ccccc2)c3ccc(Cl)cc3 | InChi: | InChI=1S/C21H27ClN6O/c1-21(2)26-19(23)25-20(24)28(21)29-14-6-13-27(15-16-7-4-3-5-8-16)18-11-9-17(22)10-12-18/h3-5,7-12H,6,13-15H2,1-2H3,(H4,23,24,25,26) | Definition date: | 2019-11-28 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | 1-[3-[(4-chlorophenyl)-(phenylmethyl)amino]propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine |
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| FYL | Name: | 2-azanyl-2-[[4-[2-[3-[[2-[(1S)-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenoxy]methyl]propane-1,3-diol | Formula: | C21 H24 N4 O5 | SMILES: | C[CH](O)c1nccn1Cc2cc(on2)C#Cc3ccc(OCC(N)(CO)CO)cc3 | InChi: | InChI=1S/C21H24N4O5/c1-15(28)20-23-8-9-25(20)11-17-10-19(30-24-17)7-4-16-2-5-18(6-3-16)29-14-21(22,12-26)13-27/h2-3,5-6,8-10,15,26-28H,11-14,22H2,1H3/t15-/m0/s1 | Definition date: | 2020-07-08 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | 2-azanyl-2-[[4-[2-[3-[[2-[(1~{S})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenoxy]methyl]propane-1,3-diol |
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