 | | TKR | | Name: | [1-[2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,2,3-triazolidin-4-yl]methyl hydrogen carbonate | | Formula: | C14 H21 N5 O6 S | | SMILES: | N[S](=O)(=O)c1ccc(CCNC(=O)CN2CC(COC(O)=O)NN2)cc1 | | InChi: | InChI=1S/C14H21N5O6S/c15-26(23,24)12-3-1-10(2-4-12)5-6-16-13(20)8-19-7-11(17-18-19)9-25-14(21)22/h1-4,11,17-18H,5-9H2,(H,16,20)(H,21,22)(H2,15,23,24) | | Definition date: | 2023-01-10 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | [1-[2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,2,3-triazolidin-4-yl]methyl hydrogen carbonate |
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 | | CXI | | Name: | 2-(3-phenyloxetan-3-yl)ethanamine | | Formula: | C11 H15 N O | | SMILES: | NCCC1(COC1)c2ccccc2 | | InChi: | InChI=1S/C11H15NO/c12-7-6-11(8-13-9-11)10-4-2-1-3-5-10/h1-5H,6-9,12H2 | | Definition date: | 2022-04-06 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | 2-(3-phenyloxetan-3-yl)ethanamine |
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 | | D0I | | Name: | [(3~{R})-3-phenyl-1-(phenylmethyl)pyrrolidin-3-yl]methanol | | Formula: | C18 H21 N O | | SMILES: | OC[C]1(CCN(Cc2ccccc2)C1)c3ccccc3 | | InChi: | InChI=1S/C18H21NO/c20-15-18(17-9-5-2-6-10-17)11-12-19(14-18)13-16-7-3-1-4-8-16/h1-10,20H,11-15H2/t18-/m1/s1 | | Definition date: | 2022-04-06 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | [(3~{R})-3-phenyl-1-(phenylmethyl)pyrrolidin-3-yl]methanol |
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 | | E6H | | Name: | 3-methylbenzoselenoate | | Formula: | C8 H8 O Se | | SMILES: | Cc1cccc(c1)C([SeH])=O | | InChi: | InChI=1S/C8H8OSe/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10) | | Definition date: | 2022-01-04 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | 3-methylbenzenecarboselenoic Se-acid |
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 | | E7I | | Name: | benzoselenoate | | Formula: | C7 H6 O Se | | SMILES: | [SeH]C(=O)c1ccccc1 | | InChi: | InChI=1S/C7H6OSe/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9) | | Definition date: | 2022-01-04 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | benzenecarboselenoic Se-acid |
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 | | EIQ | | Name: | ~{N}-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide | | Formula: | C18 H16 N2 O2 S | | SMILES: | O=[S](=O)(Nc1ccc(Cc2ccncc2)cc1)c3ccccc3 | | InChi: | InChI=1S/C18H16N2O2S/c21-23(22,18-4-2-1-3-5-18)20-17-8-6-15(7-9-17)14-16-10-12-19-13-11-16/h1-13,20H,14H2 | | Definition date: | 2022-01-07 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | ~{N}-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide |
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 | | EX9 | | Name: | 3-(dimethylamino)-~{N}-[4-[4-(4-fluorophenyl)-5-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]propane-1-sulfonamide | | Formula: | C27 H33 F N6 O2 S | | SMILES: | CN(C)CCC[S](=O)(=O)N[CH]1CC[CH](CC1)n2cnc(c3ccc(F)cc3)c2c4ccnc5[nH]ccc45 | | InChi: | InChI=1S/C27H33FN6O2S/c1-33(2)16-3-17-37(35,36)32-21-8-10-22(11-9-21)34-18-31-25(19-4-6-20(28)7-5-19)26(34)23-12-14-29-27-24(23)13-15-30-27/h4-7,12-15,18,21-22,32H,3,8-11,16-17H2,1-2H3,(H,29,30)/t21-,22+ | | Definition date: | 2022-01-17 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | 3-(dimethylamino)-~{N}-[4-[4-(4-fluorophenyl)-5-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]propane-1-sulfonamide |
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 | | EYI | | Name: | 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine | | Formula: | C22 H21 F N4 | | SMILES: | Fc1ccc(cc1)c2ncn(C3CCCCC3)c2c4ccnc5[nH]ccc45 | | InChi: | InChI=1S/C22H21FN4/c23-16-8-6-15(7-9-16)20-21(18-10-12-24-22-19(18)11-13-25-22)27(14-26-20)17-4-2-1-3-5-17/h6-14,17H,1-5H2,(H,24,25) | | Definition date: | 2022-01-17 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine |
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 | | EZQ | | Name: | 4-[5-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)imidazol-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine | | Formula: | C22 H16 F N5 | | SMILES: | Fc1ccc(cc1)c2ncn(Cc3ccncc3)c2c4ccnc5[nH]ccc45 | | InChi: | InChI=1S/C22H16FN5/c23-17-3-1-16(2-4-17)20-21(18-7-11-25-22-19(18)8-12-26-22)28(14-27-20)13-15-5-9-24-10-6-15/h1-12,14H,13H2,(H,25,26) | | Definition date: | 2022-01-17 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | 4-[5-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)imidazol-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine |
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 | | F9I | | Name: | (2~{S},4~{S},5~{R},6~{R})-5-acetamido-2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-acetamido-2-(hydroxymethyl)-4,6-bis(oxidanyl)oxan-3-yl]oxy-3,5-bis(oxidanyl)-6-(sulfooxymethyl)oxan-4-yl]oxy-6-[(1~{R},2~{R})-3-(naphthalen-2-ylsulfonylamino)-1,2-bis(oxidanyl)propyl]-4-oxidanyl-oxane-2-carboxylic acid | | Formula: | C35 H49 N3 O23 S2 | | SMILES: | CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O[CH]2O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O[C]3(C[CH](O)[CH](NC(C)=O)[CH](O3)[CH](O)[CH](O)CN[S](=O)(=O)c4ccc5ccccc5c4)C(O)=O)[CH]2O)[CH]1O | | InChi: | InChI=1S/C35H49N3O23S2/c1-14(40)37-23-19(42)10-35(34(49)50,60-30(23)25(44)20(43)11-36-62(51,52)18-8-7-16-5-3-4-6-17(16)9-18)61-31-26(45)22(13-56-63(53,54)55)58-33(28(31)47)59-29-21(12-39)57-32(48)24(27(29)46)38-15(2)41/h3-9,19-33,36,39,42-48H,10-13H2,1-2H3,(H,37,40)(H,38,41)(H,49,50)(H,53,54,55)/t19-,20+,21+,22+,23+,24+,25+,26-,27+,28+,29+,30+,31-,32+,33-,35-/m0/s1 | | Definition date: | 2022-01-19 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | (2~{S},4~{S},5~{R},6~{R})-5-acetamido-2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-acetamido-2-(hydroxymethyl)-4,6-bis(oxidanyl)oxan-3-yl]oxy-3,5-bis(oxidanyl)-6-(sulfooxymethyl)oxan-4-yl]oxy-6-[(1~{R},2~{R})-3-(naphthalen-2-ylsulfonylamino)-1,2-bis(oxidanyl)propyl]-4-oxidanyl-oxane-2-carboxylic acid |
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 | | 32N | | Name: | (1S)-4-[(1E,3Z,5E,7E,9E,11E,13E,15E,17E)-3-(hydroxymethyl)-7,12,16-trimethyl-18-[(1R,4S)-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-3-en-1-ol | | Formula: | C40 H56 O3 | | SMILES: | CC(=CC=CC=C(C)C=CC=C(CO)C=CC1=C(C)C[CH](O)CC1(C)C)C=CC=C(C)C=C[CH]2C(=C[CH](O)CC2(C)C)C | | InChi: | InChI=1S/C40H56O3/c1-29(16-12-17-31(3)20-22-37-32(4)24-35(42)26-39(37,6)7)14-10-11-15-30(2)18-13-19-34(28-41)21-23-38-33(5)25-36(43)27-40(38,8)9/h10-24,35-37,41-43H,25-28H2,1-9H3/b11-10+,16-12+,18-13+,22-20+,23-21+,29-14+,30-15+,31-17+,34-19-/t35-,36+,37+/m1/s1 | | Definition date: | 2021-07-09 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | (1~{S})-4-[(1~{E},3~{Z},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3-(hydroxymethyl)-7,12,16-trimethyl-18-[(1~{R},4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-3-en-1-ol |
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 | | I3L | | Name: | allyl-cysteine | | Formula: | C6 H11 N O2 S | | SMILES: | N[CH](CSCC=C)C(O)=O | | InChi: | InChI=1S/C6H11NO2S/c1-2-3-10-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-/m0/s1 | | Definition date: | 2022-02-10 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | (2~{R})-2-azanyl-3-prop-2-enylsulfanyl-propanoic acid |
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 | | I5D | | Name: | 2-[6-azanyl-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]pyridin-2-yl]sulfanylethanamide | | Formula: | C19 H17 N5 O2 S | | SMILES: | NC(=O)CSc1nc(N)c(C#N)c(c2ccc(OCC3CC3)cc2)c1C#N | | InChi: | InChI=1S/C19H17N5O2S/c20-7-14-17(12-3-5-13(6-4-12)26-9-11-1-2-11)15(8-21)19(24-18(14)23)27-10-16(22)25/h3-6,11H,1-2,9-10H2,(H2,22,25)(H2,23,24) | | Definition date: | 2022-06-09 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | 2-[6-azanyl-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]pyridin-2-yl]sulfanylethanamide |
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 | | I5Q | | Name: | (2S)-butane-1,2-diol | | Formula: | C4 H10 O2 | | SMILES: | CCC(O)CO | | InChi: | InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3/t4-/m0/s1 | | Definition date: | 2022-01-13 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | (2S)-butane-1,2-diol |
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 | | I5Y | | Name: | (6S,9R,20R,23S)-N-{[4-(aminomethyl)phenyl]methyl}-20-[(benzenesulfonyl)amino]-3,13,21-trioxo-2,6,9,14,22-pentaazatetracyclo[23.2.2.2~6,9~.2~15,18~]tritriaconta-1(27),15,17,25,28,30-hexaene-23-carboxamide | | Formula: | C43 H52 N8 O6 S | | SMILES: | NCc1ccc(cc1)CNC(=O)C1Cc2ccc(NC(=O)CCN3CCN(CCCC(=O)Nc4ccc(CC(NS(=O)(=O)c5ccccc5)C(=O)N1)cc4)CC3)cc2 | | InChi: | InChI=1S/C43H52N8O6S/c44-29-33-8-10-34(11-9-33)30-45-42(54)38-27-31-12-16-36(17-13-31)47-41(53)20-22-51-25-23-50(24-26-51)21-4-7-40(52)46-35-18-14-32(15-19-35)28-39(43(55)48-38)49-58(56,57)37-5-2-1-3-6-37/h1-3,5-6,8-19,38-39,49H,4,7,20-30,44H2,(H,45,54)(H,46,52)(H,47,53)(H,48,55)/t38-,39+/m0/s1 | | Definition date: | 2022-01-13 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | (6S,9R,20R,23S)-N-{[4-(aminomethyl)phenyl]methyl}-20-[(benzenesulfonyl)amino]-3,13,21-trioxo-2,6,9,14,22-pentaazatetracyclo[23.2.2.2~6,9~.2~15,18~]tritriaconta-1(27),15,17,25,28,30-hexaene-23-carboxamide |
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 | | IE3 | | Name: | [3-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-4-methoxy-phenyl]-(3,4,5-trimethoxyphenyl)methanone | | Formula: | C23 H28 O10 S | | SMILES: | COc1ccc(cc1S[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)C(=O)c3cc(OC)c(OC)c(OC)c3 | | InChi: | InChI=1S/C23H28O10S/c1-29-13-6-5-11(18(25)12-7-14(30-2)22(32-4)15(8-12)31-3)9-17(13)34-23-21(28)20(27)19(26)16(10-24)33-23/h5-9,16,19-21,23-24,26-28H,10H2,1-4H3/t16-,19+,20+,21-,23+/m1/s1 | | Definition date: | 2022-03-11 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | [3-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-4-methoxy-phenyl]-(3,4,5-trimethoxyphenyl)methanone |
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 | | IEC | | Name: | (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[1-(4-methoxyphenyl)ethenyl]phenyl]sulfanyl-oxane-3,4,5-triol | | Formula: | C21 H24 O6 S | | SMILES: | COc1ccc(cc1)C(=C)c2ccc(S[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)cc2 | | InChi: | InChI=1S/C21H24O6S/c1-12(13-3-7-15(26-2)8-4-13)14-5-9-16(10-6-14)28-21-20(25)19(24)18(23)17(11-22)27-21/h3-10,17-25H,1,11H2,2H3/t17-,18+,19+,20-,21+/m1/s1 | | Synonyms: | Biaryl-thiogalactoside | | Definition date: | 2022-03-11 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | (2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[4-[1-(4-methoxyphenyl)ethenyl]phenyl]sulfanyl-oxane-3,4,5-triol |
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 | | 3I4 | | Name: | (2S)-3-oxidanyl-2-[2-[(4-sulfamoylphenyl)methoxyamino]ethanoylamino]propanamide | | Formula: | C12 H18 N4 O6 S | | SMILES: | NC(=O)[CH](CO)NC(=O)CNOCc1ccc(cc1)[S](N)(=O)=O | | InChi: | InChI=1S/C12H18N4O6S/c13-12(19)10(6-17)16-11(18)5-15-22-7-8-1-3-9(4-2-8)23(14,20)21/h1-4,10,15,17H,5-7H2,(H2,13,19)(H,16,18)(H2,14,20,21)/t10-/m0/s1 | | Definition date: | 2021-06-25 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | (2~{S})-3-oxidanyl-2-[2-[(4-sulfamoylphenyl)methoxyamino]ethanoylamino]propanamide |
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 | | 81D | | Name: | (S)-3-(Aminomethyl)-4-chloro-7-(2-hydroxyethoxy)benzo[c][1,2]oxaborol-1(3H)-ol | | Formula: | C20 H24 B Cl N6 O10 P | | SMILES: | NC[CH]1O[B-]2(O[CH]3[CH](CO[P](O)(O)=O)O[CH]([CH]3O2)n4cnc5c(N)ncnc45)c6c(OCCO)ccc(Cl)c16 | | InChi: | InChI=1S/C20H24BClN6O10P/c22-9-1-2-10(33-4-3-29)14-13(9)11(5-23)36-21(14)37-16-12(6-34-39(30,31)32)35-20(17(16)38-21)28-8-27-15-18(24)25-7-26-19(15)28/h1-2,7-8,11-12,16-17,20,29H,3-6,23H2,(H2,24,25,26)(H2,30,31,32)/q-1/t11-,12-,16-,17-,20-,21+/m1/s1 | | Synonyms: | [(1R,5S,6R,8R,9'S)-9'-(aminomethyl)-8-(6-aminopurin-9-yl)-2'-chloranyl-5'-(2-hydroxyethyloxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-6-yl]methyl dihydrogen phosphate | | Definition date: | 2021-09-21 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | [(1~{R},5~{S},6~{R},8~{R},9'~{S})-9'-(aminomethyl)-8-(6-aminopurin-9-yl)-2'-chloranyl-5'-(2-hydroxyethyloxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-6-yl]methyl dihydrogen phosphate |
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 | | 8BH | | Name: | 5-azanyl-3-[(~{Z})-1-cyano-2-(1~{H}-indol-3-yl)ethenyl]-1~{H}-pyrazole-4-carbonitrile | | Formula: | C15 H10 N6 | | SMILES: | Nc1[nH]nc(C(=Cc2c[nH]c3ccccc23)C#N)c1C#N | | InChi: | InChI=1S/C15H10N6/c16-6-9(14-12(7-17)15(18)21-20-14)5-10-8-19-13-4-2-1-3-11(10)13/h1-5,8,19H,(H3,18,20,21)/b9-5+ | | Synonyms: | Tyrphostin AG 1112 | | Definition date: | 2022-03-04 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | 5-azanyl-3-[(~{Z})-1-cyano-2-(1~{H}-indol-3-yl)ethenyl]-1~{H}-pyrazole-4-carbonitrile |
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 | | 1KI | | Name: | 2-bromanyl-4-[(~{E})-2-[6-[2-(2-fluoranylethoxy)ethyl-methyl-amino]-5-methyl-1,3-benzothiazol-2-yl]ethenyl]phenol | | Formula: | C21 H22 Br F N2 O2 S | | SMILES: | CN(CCOCCF)c1cc2sc(C=Cc3ccc(O)c(Br)c3)nc2cc1C | | InChi: | InChI=1S/C21H22BrFN2O2S/c1-14-11-17-20(13-18(14)25(2)8-10-27-9-7-23)28-21(24-17)6-4-15-3-5-19(26)16(22)12-15/h3-6,11-13,26H,7-10H2,1-2H3/b6-4+ | | Definition date: | 2022-01-24 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | 2-bromanyl-4-[(~{E})-2-[6-[2-(2-fluoranylethoxy)ethyl-methyl-amino]-5-methyl-1,3-benzothiazol-2-yl]ethenyl]phenol |
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 | | 9IZ | | Name: | 1-pyridin-2-yl-~{N}-(pyridin-2-ylmethyl)-~{N}-[(6-pyridin-2-ylpyridin-2-yl)methyl]methanamine | | Formula: | C23 H21 N5 | | SMILES: | C(N(Cc1ccccn1)Cc2cccc(n2)c3ccccn3)c4ccccn4 | | InChi: | InChI=1S/C23H21N5/c1-4-13-24-19(8-1)16-28(17-20-9-2-5-14-25-20)18-21-10-7-12-23(27-21)22-11-3-6-15-26-22/h1-15H,16-18H2 | | Definition date: | 2022-01-18 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | 1-pyridin-2-yl-~{N}-(pyridin-2-ylmethyl)-~{N}-[(6-pyridin-2-ylpyridin-2-yl)methyl]methanamine |
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 | | LAO | | Name: | 2-O-phosphono-alpha-L-arabinopyranose | | Formula: | C5 H11 O8 P | | SMILES: | O=P(OC1C(O)C(O)COC1O)(O)O | | InChi: | InChI=1S/C5H11O8P/c6-2-1-12-5(8)4(3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4+,5+/m0/s1 | | Synonyms: | 2-O-phosphono-alpha-L-arabinose | | Definition date: | 2014-02-27 | | Last modified: | 2023-01-10 | | Release date: | 2015-08-19 | | Identifier: | 2-O-phosphono-alpha-L-arabinopyranose |
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 | | UEL | | Name: | (7R)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6,7-dihydro-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol | | Formula: | C9 H14 N5 O7 P | | SMILES: | O=P(O)(O)OCC1OC(CC1O)n1nnc2c1N=CNC2O | | InChi: | InChI=1S/C9H14N5O7P/c15-4-1-6(21-5(4)2-20-22(17,18)19)14-8-7(12-13-14)9(16)11-3-10-8/h3-6,9,15-16H,1-2H2,(H,10,11)(H2,17,18,19)/t4-,5+,6+,9+/m0/s1 | | Definition date: | 2022-08-17 | | Last modified: | 2023-01-06 | | Release date: | 2023-01-11 | | Identifier: | (7R)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6,7-dihydro-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol |
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 | | XKR | | Name: | N-{(1S)-2-amino-1-[4,5-bis(hydroxymethyl)-1,3-thiazol-2-yl]ethyl}-5-(4-chloro-3,5-difluorophenyl)-1H-pyrrole-2-carboxamide | | Formula: | C18 H17 Cl F2 N4 O3 S | | SMILES: | O=C(NC(CN)c1nc(CO)c(CO)s1)c1ccc([NH]1)c1cc(F)c(Cl)c(F)c1 | | InChi: | InChI=1S/C18H17ClF2N4O3S/c19-16-9(20)3-8(4-10(16)21)11-1-2-12(23-11)17(28)24-13(5-22)18-25-14(6-26)15(7-27)29-18/h1-4,13,23,26-27H,5-7,22H2,(H,24,28)/t13-/m0/s1 | | Synonyms: | NBD-14208 | | Definition date: | 2022-11-28 | | Last modified: | 2023-01-06 | | Release date: | 2023-01-11 | | Identifier: | N-{(1S)-2-amino-1-[4,5-bis(hydroxymethyl)-1,3-thiazol-2-yl]ethyl}-5-(4-chloro-3,5-difluorophenyl)-1H-pyrrole-2-carboxamide |
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