 | | 89K | | Name: | N-[(2S)-3-cyclohexyl-1-oxidanylidene-1-[[(2S,3S)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide | | Formula: | C34 H42 N4 O6 | | SMILES: | O[CH]([CH](C[CH]1CCCNC1=O)NC(=O)[CH](CC2CCCCC2)NC(=O)c3oc4ccccc4c3)C(=O)NCc5ccccc5 | | InChi: | InChI=1S/C34H42N4O6/c39-30(34(43)36-21-23-12-5-2-6-13-23)26(19-25-15-9-17-35-31(25)40)37-32(41)27(18-22-10-3-1-4-11-22)38-33(42)29-20-24-14-7-8-16-28(24)44-29/h2,5-8,12-14,16,20,22,25-27,30,39H,1,3-4,9-11,15,17-19,21H2,(H,35,40)(H,36,43)(H,37,41)(H,38,42)/t25-,26-,27-,30-/m0/s1 | | Definition date: | 2021-11-30 | | Last modified: | 2023-05-26 | | Release date: | 2023-05-31 | | Identifier: | ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S},3~{S})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide |
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 | | 8IA | | Name: | ~{N},~{N}-dimethylcyclohexanamine | | Formula: | C8 H17 N | | SMILES: | CN(C)C1CCCCC1 | | InChi: | InChI=1S/C8H17N/c1-9(2)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3 | | Definition date: | 2023-03-31 | | Last modified: | 2023-05-26 | | Release date: | 2023-05-31 | | Identifier: | ~{N},~{N}-dimethylcyclohexanamine |
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 | | EKI | | Name: | 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide | | Formula: | C13 H15 N5 O3 | | SMILES: | NC(=O)c1cc2c(nc1N)N(C(=O)N(CC)C2=O)C1CC1 | | InChi: | InChI=1S/C13H15N5O3/c1-2-17-12(20)8-5-7(10(15)19)9(14)16-11(8)18(13(17)21)6-3-4-6/h5-6H,2-4H2,1H3,(H2,14,16)(H2,15,19) | | Definition date: | 2023-03-27 | | Last modified: | 2023-05-26 | | Release date: | 2023-05-31 | | Identifier: | 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide |
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 | | GQI | | Name: | (2R)-2-azanyl-3-[(E)-(2-oxidanyl-2-oxidanylidene-ethylidene)amino]oxysulfanyl-propanoic acid | | Formula: | C5 H8 N2 O5 S | | SMILES: | N[CH](CSON=CC(O)=O)C(O)=O | | InChi: | InChI=1S/C5H8N2O5S/c6-3(5(10)11)2-13-12-7-1-4(8)9/h1,3H,2,6H2,(H,8,9)(H,10,11)/b7-1+/t3-/m0/s1 | | Definition date: | 2022-05-17 | | Last modified: | 2023-05-26 | | Release date: | 2023-05-31 | | Identifier: | (2~{R})-2-azanyl-3-[(~{E})-(2-oxidanyl-2-oxidanylidene-ethylidene)amino]oxysulfanyl-propanoic acid |
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 | | H4I | | Name: | 2,4-difluoro-N-(1-((4-(trifluoromethyl)benzyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide | | Formula: | C23 H19 F5 N2 O4 S2 | | SMILES: | Fc1ccc(c(F)c1)[S](=O)(=O)Nc2ccc3CCCN(c3c2)[S](=O)(=O)Cc4ccc(cc4)C(F)(F)F | | InChi: | InChI=1S/C23H19F5N2O4S2/c24-18-8-10-22(20(25)12-18)36(33,34)29-19-9-5-16-2-1-11-30(21(16)13-19)35(31,32)14-15-3-6-17(7-4-15)23(26,27)28/h3-10,12-13,29H,1-2,11,14H2 | | Definition date: | 2022-05-20 | | Last modified: | 2023-05-26 | | Release date: | 2023-05-31 | | Identifier: | 2,4-bis(fluoranyl)-~{N}-[1-[[4-(trifluoromethyl)phenyl]methylsulfonyl]-3,4-dihydro-2~{H}-quinolin-7-yl]benzenesulfonamide |
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 | | I55 | | Name: | [(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[(~{E})-[(3~{a}~{S},7~{R},7~{a}~{S})-7-oxidanyl-4-oxidanylidene-3,3~{a},5,6,7,7~{a}-hexahydro-1~{H}-imidazo[4,5-c]pyridin-2-ylidene]amino]-5-(2-azanylethanoylamino)-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl] carbamate | | Formula: | C15 H25 N7 O8 | | SMILES: | NCC(=O)N[CH]1[CH](O)[CH](OC(N)=O)[CH](CO)O[CH]1N=C2N[CH]3[CH](O)CNC(=O)[CH]3N2 | | InChi: | InChI=1S/C15H25N7O8/c16-1-6(25)19-9-10(26)11(30-14(17)28)5(3-23)29-13(9)22-15-20-7-4(24)2-18-12(27)8(7)21-15/h4-5,7-11,13,23-24,26H,1-3,16H2,(H2,17,28)(H,18,27)(H,19,25)(H2,20,21,22)/t4-,5-,7-,8+,9-,10+,11+,13-/m1/s1 | | Definition date: | 2022-06-09 | | Last modified: | 2023-05-26 | | Release date: | 2023-05-31 | | Identifier: | [(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[(~{E})-[(3~{a}~{S},7~{R},7~{a}~{S})-7-oxidanyl-4-oxidanylidene-3,3~{a},5,6,7,7~{a}-hexahydro-1~{H}-imidazo[4,5-c]pyridin-2-ylidene]amino]-5-(2-azanylethanoylamino)-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl] carbamate |
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 | | I5O | | Name: | 2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-8-[1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-yl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaene | | Formula: | C25 H24 B F2 N4 O2 | | SMILES: | Cc1cc(C)c2n1[B-](F)(F)[N+]3=C(C)C=C(C)C3=C2c4cc[n+](Cc5ccc(cc5)[N](=O)=O)cc4 | | InChi: | InChI=1S/C25H24BF2N4O2/c1-16-13-18(3)30-24(16)23(25-17(2)14-19(4)31(25)26(30,27)28)21-9-11-29(12-10-21)15-20-5-7-22(8-6-20)32(33)34/h5-14H,15H2,1-4H3/q+1 | | Definition date: | 2022-06-10 | | Last modified: | 2023-05-26 | | Release date: | 2023-05-31 | | Identifier: | 2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-8-[1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-yl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaene |
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 | | I60 | | Name: | [(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[(~{E})-[(3~{a}~{S},7~{R},7~{a}~{S})-7-oxidanyl-4-oxidanylidene-3,3~{a},5,6,7,7~{a}-hexahydro-1~{H}-imidazo[4,5-c]pyridin-2-ylidene]amino]-5-(4-azanylbutanoylamino)-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl] carbamate | | Formula: | C17 H29 N7 O8 | | SMILES: | NCCCC(=O)N[CH]1[CH](O)[CH](OC(N)=O)[CH](CO)O[CH]1N=C2N[CH]3[CH](O)CNC(=O)[CH]3N2 | | InChi: | InChI=1S/C17H29N7O8/c18-3-1-2-8(27)21-11-12(28)13(32-16(19)30)7(5-25)31-15(11)24-17-22-9-6(26)4-20-14(29)10(9)23-17/h6-7,9-13,15,25-26,28H,1-5,18H2,(H2,19,30)(H,20,29)(H,21,27)(H2,22,23,24)/t6-,7-,9-,10+,11-,12+,13+,15-/m1/s1 | | Definition date: | 2022-06-10 | | Last modified: | 2023-05-26 | | Release date: | 2023-05-31 | | Identifier: | [(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[(~{E})-[(3~{a}~{S},7~{R},7~{a}~{S})-7-oxidanyl-4-oxidanylidene-3,3~{a},5,6,7,7~{a}-hexahydro-1~{H}-imidazo[4,5-c]pyridin-2-ylidene]amino]-5-(4-azanylbutanoylamino)-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl] carbamate |
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 | | IX0 | | Name: | N-(4-((1S,4S,6R)-3-(4-hydroxyphenyl)-6-(N-(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)sulfamoyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenyl)-3-methylbut-2-enamide | | Formula: | C31 H29 F3 N2 O6 S | | SMILES: | CC(C)=CC(=O)Nc1ccc(cc1)C2=C([CH]3C[CH]([CH]2O3)[S](=O)(=O)N(CC(F)(F)F)c4ccc(O)cc4)c5ccc(O)cc5 | | InChi: | InChI=1S/C31H29F3N2O6S/c1-18(2)15-27(39)35-21-7-3-20(4-8-21)29-28(19-5-11-23(37)12-6-19)25-16-26(30(29)42-25)43(40,41)36(17-31(32,33)34)22-9-13-24(38)14-10-22/h3-15,25-26,30,37-38H,16-17H2,1-2H3,(H,35,39)/t25-,26+,30+/m0/s1 | | Definition date: | 2022-07-29 | | Last modified: | 2023-05-26 | | Release date: | 2023-05-31 | | Identifier: | ~{N}-[4-[(1~{S},4~{S},6~{R})-3-(4-hydroxyphenyl)-6-[(4-hydroxyphenyl)-[2,2,2-tris(fluoranyl)ethyl]sulfamoyl]-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl]-3-methyl-but-2-enamide |
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 | | 9NG | | Name: | 5-bromo-1-{[4-(1H-tetrazol-5-yl)phenyl]methyl}-1'-(thiophene-2-sulfonyl)spiro[indole-3,4'-piperidin]-2(1H)-one | | Formula: | C24 H21 Br N6 O3 S2 | | SMILES: | O=S(=O)(N1CCC2(CC1)c1cc(Br)ccc1N(Cc1ccc(cc1)c1nnn[NH]1)C2=O)c1cccs1 | | InChi: | InChI=1S/C24H21BrN6O3S2/c25-18-7-8-20-19(14-18)24(9-11-30(12-10-24)36(33,34)21-2-1-13-35-21)23(32)31(20)15-16-3-5-17(6-4-16)22-26-28-29-27-22/h1-8,13-14H,9-12,15H2,(H,26,27,28,29) | | Definition date: | 2017-05-19 | | Last modified: | 2023-05-25 | | Release date: | 2017-07-05 | | Identifier: | 5-bromo-1-{[4-(1H-tetrazol-5-yl)phenyl]methyl}-1'-(thiophene-2-sulfonyl)spiro[indole-3,4'-piperidin]-2(1H)-one |
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 | | RHJ | | Name: | cyclobutyl[(3aS,4R,5R,7S,8aS)-4,5-dihydroxyhexahydro-1H-3a,7-epoxycyclohepta[c]pyrrol-2(3H)-yl]methanone | | Formula: | C14 H21 N O4 | | SMILES: | O=C(N1CC2CC3CC(O)C(O)C2(C1)O3)C1CCC1 | | InChi: | InChI=1S/C14H21NO4/c16-11-5-10-4-9-6-15(13(18)8-2-1-3-8)7-14(9,19-10)12(11)17/h8-12,16-17H,1-7H2/t9-,10-,11?,12?,14+/m0/s1 | | Definition date: | 2020-02-12 | | Last modified: | 2023-05-25 | | Release date: | 2020-04-08 | | Identifier: | cyclobutyl[(3aS,4R,5R,7S,8aS)-4,5-dihydroxyhexahydro-1H-3a,7-epoxycyclohepta[c]pyrrol-2(3H)-yl]methanone |
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 | | SA1 | | Name: | (3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE | | Formula: | C15 H21 N O4 | | SMILES: | O=C1NC(C=O)(C2(OCCC12)C)C(O)C3C=CCCC3 | | InChi: | InChI=1S/C15H21NO4/c1-14-11(7-8-20-14)13(19)16-15(14,9-17)12(18)10-5-3-2-4-6-10/h3,5,9-12,18H,2,4,6-8H2,1H3,(H,16,19)/t10-,11+,12+,14+,15-/m1/s1 | | Synonyms: | Salinosporamide A, bound form | | Definition date: | 2005-12-29 | | Last modified: | 2023-05-22 | | Identifier: | (3aR,6R,6aS)-6-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-6a-methyl-4-oxohexahydro-2H-furo[2,3-c]pyrrole-6-carbaldehyde |
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 | | Y4K | | Name: | 3-nitro-4-{2-[(2S)-2-phenylpropyl]hydrazinyl}benzene-1-sulfonamide | | Formula: | C15 H18 N4 O4 S | | SMILES: | O=S(N)(=O)c1cc(c(NNCC(C)c2ccccc2)cc1)N(=O)=O | | InChi: | InChI=1S/C15H18N4O4S/c1-11(12-5-3-2-4-6-12)10-17-18-14-8-7-13(24(16,22)23)9-15(14)19(20)21/h2-9,11,17-18H,10H2,1H3,(H2,16,22,23)/t11-/m1/s1 | | Definition date: | 2023-01-04 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | 3-nitro-4-{2-[(2S)-2-phenylpropyl]hydrazinyl}benzene-1-sulfonamide |
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 | | Y4Q | | Name: | 6-methyl-2-{2-[(1E)-3-(2-nitrophenyl)prop-1-en-1-yl]hydrazinyl}pyrimidin-4(5H)-one | | Formula: | C14 H15 N5 O3 | | SMILES: | CC1=NC(NNC=CCc2ccccc2N(=O)=O)=NC(=O)C1 | | InChi: | InChI=1S/C14H15N5O3/c1-10-9-13(20)17-14(16-10)18-15-8-4-6-11-5-2-3-7-12(11)19(21)22/h2-5,7-8,15H,6,9H2,1H3,(H,17,18,20)/b8-4+ | | Definition date: | 2023-01-04 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | 6-methyl-2-{2-[(1E)-3-(2-nitrophenyl)prop-1-en-1-yl]hydrazinyl}pyrimidin-4(5H)-one |
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 | | Y4U | | Name: | 1-[1-(benzenesulfonyl)-1H-pyrrol-3-yl]ethan-1-one | | Formula: | C12 H11 N O3 S | | SMILES: | O=C(C)c1ccn(c1)S(=O)(=O)c1ccccc1 | | InChi: | InChI=1S/C12H11NO3S/c1-10(14)11-7-8-13(9-11)17(15,16)12-5-3-2-4-6-12/h2-9H,1H3 | | Definition date: | 2023-01-04 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | 1-[1-(benzenesulfonyl)-1H-pyrrol-3-yl]ethan-1-one |
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 | | VF8 | | Name: | (3R,6R,7S,8E,11S,12R,22S)-6'-chloro-7-methoxy-11,12-dimethyl-13,13-dioxo-spiro[20-oxa-13-gamma6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene-22,1'-tetralin]-15-one | | Formula: | C33 H41 Cl N2 O5 S | | SMILES: | CO[CH]1C=CC[CH](C)[CH](C)[S](=O)(=O)NC(=O)c2ccc3OC[C]4(CCCc5cc(Cl)ccc45)C[N](C[CH]6CC[CH]16)c3c2 | | InChi: | InChI=1S/C33H41ClN2O5S/c1-21-6-4-8-30(40-3)27-12-9-25(27)18-36-19-33(15-5-7-23-16-26(34)11-13-28(23)33)20-41-31-14-10-24(17-29(31)36)32(37)35-42(38,39)22(21)2/h4,8,10-11,13-14,16-17,21-22,25,27,30H,5-7,9,12,15,18-20H2,1-3H3,(H,35,37)/b8-4+/t21-,22+,25-,27+,30-,33-/m0/s1 | | Definition date: | 2021-05-13 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 |
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 | | VUF | | Name: | 1-[4-[4-(2-azanylethylamino)-2-[1-(4-chlorophenyl)cyclohexyl]quinazolin-7-yl]piperazin-1-yl]ethanone | | Formula: | C28 H35 Cl N6 O | | SMILES: | CC(=O)N1CCN(CC1)c2ccc3c(NCCN)nc(nc3c2)C4(CCCCC4)c5ccc(Cl)cc5 | | InChi: | InChI=1S/C28H35ClN6O/c1-20(36)34-15-17-35(18-16-34)23-9-10-24-25(19-23)32-27(33-26(24)31-14-13-30)28(11-3-2-4-12-28)21-5-7-22(29)8-6-21/h5-10,19H,2-4,11-18,30H2,1H3,(H,31,32,33) | | Definition date: | 2023-04-05 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | 1-[4-[4-(2-azanylethylamino)-2-[1-(4-chlorophenyl)cyclohexyl]quinazolin-7-yl]piperazin-1-yl]ethanone |
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 | | UL6 | | Name: | [(2S)-1,4-dioxan-2-yl]methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside | | Formula: | C13 H23 N O8 | | SMILES: | CC(=O)NC1C(O)C(O)C(CO)OC1OCC1COCCO1 | | InChi: | InChI=1S/C13H23NO8/c1-7(16)14-10-12(18)11(17)9(4-15)22-13(10)21-6-8-5-19-2-3-20-8/h8-13,15,17-18H,2-6H2,1H3,(H,14,16)/t8-,9+,10+,11+,12+,13+/m0/s1 | | Definition date: | 2023-03-14 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | [(2S)-1,4-dioxan-2-yl]methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside |
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 | | TT6 | | Name: | 4-[(2-azanyl-4-methyl-1,3-thiazol-5-yl)methyl]benzenecarbonitrile | | Formula: | C12 H11 N3 S | | SMILES: | Cc1nc(N)sc1Cc2ccc(cc2)C#N | | InChi: | InChI=1S/C12H11N3S/c1-8-11(16-12(14)15-8)6-9-2-4-10(7-13)5-3-9/h2-5H,6H2,1H3,(H2,14,15) | | Definition date: | 2023-01-12 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | 4-[(2-azanyl-4-methyl-1,3-thiazol-5-yl)methyl]benzenecarbonitrile |
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 | | UM9 | | Name: | 2,2-dimethyl-3-oxobutyl 2-acetamido-2-deoxy-beta-D-glucopyranoside | | Formula: | C14 H25 N O7 | | SMILES: | CC(=O)C(C)(C)COC1OC(CO)C(O)C(O)C1NC(C)=O | | InChi: | InChI=1S/C14H25NO7/c1-7(17)14(3,4)6-21-13-10(15-8(2)18)12(20)11(19)9(5-16)22-13/h9-13,16,19-20H,5-6H2,1-4H3,(H,15,18)/t9-,10-,11-,12-,13-/m1/s1 | | Definition date: | 2023-03-14 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | 2,2-dimethyl-3-oxobutyl 2-acetamido-2-deoxy-beta-D-glucopyranoside |
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 | | TU5 | | Name: | 3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline | | Formula: | C11 H10 F3 N3 | | SMILES: | Cc1cn(cn1)c2cc(N)cc(c2)C(F)(F)F | | InChi: | InChI=1S/C11H10F3N3/c1-7-5-17(6-16-7)10-3-8(11(12,13)14)2-9(15)4-10/h2-6H,15H2,1H3 | | Definition date: | 2023-01-12 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | 3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline |
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 | | TUU | | Name: | 4-(1,4-diazepan-1-ylsulfonyl)isoquinoline | | Formula: | C14 H17 N3 O2 S | | SMILES: | O=[S](=O)(N1CCCNCC1)c2cncc3ccccc23 | | InChi: | InChI=1S/C14H17N3O2S/c18-20(19,17-8-3-6-15-7-9-17)14-11-16-10-12-4-1-2-5-13(12)14/h1-2,4-5,10-11,15H,3,6-9H2 | | Definition date: | 2023-01-12 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | 4-(1,4-diazepan-1-ylsulfonyl)isoquinoline |
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 | | TV6 | | Name: | 1-[3,5-bis(chloranyl)phenoxy]propan-2-amine | | Formula: | C9 H11 Cl2 N O | | SMILES: | C[CH](N)COc1cc(Cl)cc(Cl)c1 | | InChi: | InChI=1S/C9H11Cl2NO/c1-6(12)5-13-9-3-7(10)2-8(11)4-9/h2-4,6H,5,12H2,1H3/t6-/m0/s1 | | Definition date: | 2023-01-12 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | 1-[3,5-bis(chloranyl)phenoxy]propan-2-amine |
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 | | Y9N | | Name: | N-{(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(4-methoxybenzene-1-sulfonyl)(2-methylpropyl)amino]butan-2-yl}-4-methyl-3-{[(4M)-4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzamide | | Formula: | C38 H40 F2 N6 O5 S | | SMILES: | COc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)C(Cc1cc(F)cc(F)c1)NC(=O)c1cc(Nc2nc(ccn2)c2cccnc2)c(C)cc1 | | InChi: | InChI=1S/C38H40F2N6O5S/c1-24(2)22-46(52(49,50)32-11-9-31(51-4)10-12-32)23-36(47)35(18-26-16-29(39)20-30(40)17-26)43-37(48)27-8-7-25(3)34(19-27)45-38-42-15-13-33(44-38)28-6-5-14-41-21-28/h5-17,19-21,24,35-36,47H,18,22-23H2,1-4H3,(H,43,48)(H,42,44,45)/t35-,36+/m0/s1 | | Definition date: | 2023-01-18 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | N-{(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(4-methoxybenzene-1-sulfonyl)(2-methylpropyl)amino]butan-2-yl}-4-methyl-3-{[(4M)-4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzamide |
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 | | TVI | | Name: | (3~{R},4~{R})-4-[4-[(5-bromanylpyridin-3-yl)oxymethyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol | | Formula: | C12 H14 Br N5 O2 | | SMILES: | O[CH]1CNC[CH]1n2cc(COc3cncc(Br)c3)nn2 | | InChi: | InChI=1S/C12H14BrN5O2/c13-8-1-10(3-14-2-8)20-7-9-6-18(17-16-9)11-4-15-5-12(11)19/h1-3,6,11-12,15,19H,4-5,7H2/t11-,12-/m1/s1 | | Definition date: | 2023-01-12 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | (3~{R},4~{R})-4-[4-[(5-bromanylpyridin-3-yl)oxymethyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol |
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