 | | QDA | | Name: | N~4~,N~6~-dicyclopentyl-2-(methylsulfanyl)-5-nitropyrimidine-4,6-diamine | | Formula: | C15 H23 N5 O2 S | | SMILES: | c2([N+]([O-])=O)c(NC1CCCC1)nc(nc2NC3CCCC3)SC | | InChi: | InChI=1S/C15H23N5O2S/c1-23-15-18-13(16-10-6-2-3-7-10)12(20(21)22)14(19-15)17-11-8-4-5-9-11/h10-11H,2-9H2,1H3,(H2,16,17,18,19) | | Definition date: | 2019-10-16 | | Last modified: | 2020-06-05 | | Release date: | 2020-06-10 | | Identifier: | N~4~,N~6~-dicyclopentyl-2-(methylsulfanyl)-5-nitropyrimidine-4,6-diamine |
|
 | | T9S | | Name: | ethyl 1,3-dihydro-2H-pyrrolo[3,4-c]pyridine-2-carboxylate | | Formula: | C10 H12 N2 O2 | | SMILES: | c21CN(Cc1cncc2)C(=O)OCC | | InChi: | InChI=1S/C10H12N2O2/c1-2-14-10(13)12-6-8-3-4-11-5-9(8)7-12/h3-5H,2,6-7H2,1H3 | | Definition date: | 2020-03-18 | | Last modified: | 2020-06-05 | | Release date: | 2020-06-10 | | Identifier: | ethyl 1,3-dihydro-2H-pyrrolo[3,4-c]pyridine-2-carboxylate |
|
 | | T9V | | Name: | N-(4-methoxyphenyl)acetamide | | Formula: | C9 H11 N O2 | | SMILES: | c1cc(ccc1OC)NC(=O)C | | InChi: | InChI=1S/C9H11NO2/c1-7(11)10-8-3-5-9(12-2)6-4-8/h3-6H,1-2H3,(H,10,11) | | Definition date: | 2020-03-18 | | Last modified: | 2020-06-05 | | Release date: | 2020-06-10 | | Identifier: | N-(4-methoxyphenyl)acetamide |
|
 | | T9Y | | Name: | ethyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylate | | Formula: | C7 H7 F3 N2 O2 | | SMILES: | c1c(c(C(F)(F)F)nn1)C(OCC)=O | | InChi: | InChI=1S/C7H7F3N2O2/c1-2-14-6(13)4-3-11-12-5(4)7(8,9)10/h3H,2H2,1H3,(H,11,12) | | Definition date: | 2020-03-18 | | Last modified: | 2020-06-05 | | Release date: | 2020-06-10 | | Identifier: | ethyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylate |
|
 | | CKU | | Name: | (3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)-1-propyl-piperidine-3-carboxylic acid | | Formula: | C9 H17 N O4 | | SMILES: | CCCN1C[CH](O)[CH](O)[CH](C1)C(O)=O | | InChi: | InChI=1S/C9H17NO4/c1-2-3-10-4-6(9(13)14)8(12)7(11)5-10/h6-8,11-12H,2-5H2,1H3,(H,13,14)/t6-,7+,8+/m0/s1 | | Definition date: | 2019-05-09 | | Last modified: | 2020-06-05 | | Release date: | 2020-06-10 | | Identifier: | (3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)-1-propyl-piperidine-3-carboxylic acid |
|
 | | CKX | | Name: | (2~{S},3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)-2-propyl-piperidine-3-carboxylic acid | | Formula: | C9 H17 N O4 | | SMILES: | CCC[CH]1NC[CH](O)[CH](O)[CH]1C(O)=O | | InChi: | InChI=1S/C9H17NO4/c1-2-3-5-7(9(13)14)8(12)6(11)4-10-5/h5-8,10-12H,2-4H2,1H3,(H,13,14)/t5-,6+,7-,8-/m0/s1 | | Definition date: | 2019-05-09 | | Last modified: | 2020-06-05 | | Release date: | 2020-06-10 | | Identifier: | (2~{S},3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)-2-propyl-piperidine-3-carboxylic acid |
|
 | | EUL | | Name: | 2-bromanyl-N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)benzamide | | Formula: | C17 H14 Br N3 O S | | SMILES: | Brc1ccccc1C(=O)Nc2ncnc3sc4CCCCc4c23 | | InChi: | InChI=1S/C17H14BrN3OS/c18-12-7-3-1-5-10(12)16(22)21-15-14-11-6-2-4-8-13(11)23-17(14)20-9-19-15/h1,3,5,7,9H,2,4,6,8H2,(H,19,20,21,22) | | Definition date: | 2020-01-28 | | Last modified: | 2020-06-05 | | Release date: | 2020-06-10 | | Identifier: | 2-bromanyl-~{N}-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)benzamide |
|
 | | EYO | | Name: | 1,4,7,10,13-pentaoxacyclopentadecane | | Formula: | C10 H20 O5 | | SMILES: | C1COCCOCCOCCOCCO1 | | InChi: | InChI=1S/C10H20O5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1/h1-10H2 | | Definition date: | 2020-02-21 | | Last modified: | 2020-06-05 | | Release date: | 2020-06-10 | | Identifier: | 1,4,7,10,13-pentaoxacyclopentadecane |
|
 | | OBC | | Name: | 2-fluorophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate | | Formula: | C24 H19 F O6 S | | SMILES: | O=S(=O)(Oc1ccccc1F)C2CC5OC2C(c3ccc(O)cc3)=C5c4ccc(O)cc4 | | InChi: | InChI=1S/C24H19FO6S/c25-18-3-1-2-4-19(18)31-32(28,29)21-13-20-22(14-5-9-16(26)10-6-14)23(24(21)30-20)15-7-11-17(27)12-8-15/h1-12,20-21,24,26-27H,13H2/t20-,21+,24+/m0/s1 | | Definition date: | 2015-05-07 | | Last modified: | 2020-06-01 | | Release date: | 2016-05-04 | | Identifier: | 2-fluorophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate |
|
 | | OBH | | Name: | cyclohexa-2,5-dien-1-yl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate | | Formula: | C24 H22 O6 S | | SMILES: | c1cc(O)ccc1C3=C(c2ccc(O)cc2)C4OC3CC4S(=O)(=O)OC5C=CCC=C5 | | InChi: | InChI=1S/C24H22O6S/c25-17-10-6-15(7-11-17)22-20-14-21(31(27,28)30-19-4-2-1-3-5-19)24(29-20)23(22)16-8-12-18(26)13-9-16/h2-13,19-21,24-26H,1,14H2/t20-,21+,24+/m0/s1 | | Definition date: | 2015-05-05 | | Last modified: | 2020-06-01 | | Release date: | 2015-09-09 | | Identifier: | cyclohexa-2,5-dien-1-yl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate |
|
 | | SJP | | Name: | (2R,3R)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl)oxy]-3-{[3-O-(2,6-diamino-2,3,4,6-tetradeoxy-beta-L-threo-hexopyranosyl)-beta-D-ribofuranosyl]oxy}-2-hydroxycyclohexyl]-3-fluoro-2-hydroxybutanamide | | Formula: | C27 H52 F N7 O11 | | SMILES: | FC(CN)C(O)C(=O)NC4C(O)C(OC2OC(C(OC1OC(CN)CCC1N)C2O)CO)C(OC3OC(CN)CCC3N)C(N)C4 | | InChi: | InChI=1S/C27H52FN7O11/c28-12(8-31)18(37)24(40)35-16-5-15(34)21(44-25-13(32)3-1-10(6-29)41-25)23(19(16)38)46-27-20(39)22(17(9-36)43-27)45-26-14(33)4-2-11(7-30)42-26/h10-23,25-27,36-39H,1-9,29-34H2,(H,35,40)/t10-,11+,12+,13+,14+,15-,16+,17+,18-,19-,20+,21+,22+,23+,25+,26+,27-/m0/s1 | | Definition date: | 2014-03-05 | | Last modified: | 2020-06-01 | | Release date: | 2014-11-05 | | Identifier: | (2R,3R)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl)oxy]-3-{[3-O-(2,6-diamino-2,3,4,6-tetradeoxy-beta-L-threo-hexopyranosyl)-beta-D-ribofuranosyl]oxy}-2-hydroxycyclohexyl]-3-fluoro-2-hydroxybutanamide |
|
 | | 0TM | | Name: | 2-{[4-(2-chloro-4,5-dimethoxyphenyl)-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl}-N,N-dimethylacetamide | | Formula: | C19 H18 Cl N5 O3 S | | SMILES: | Clc3cc(OC)c(OC)cc3c1nc(nc2c1c(C#N)cn2)SCC(=O)N(C)C | | InChi: | InChI=1S/C19H18ClN5O3S/c1-25(2)15(26)9-29-19-23-17(16-10(7-21)8-22-18(16)24-19)11-5-13(27-3)14(28-4)6-12(11)20/h5-6,8H,9H2,1-4H3,(H,22,23,24) | | Definition date: | 2012-06-07 | | Last modified: | 2020-06-01 | | Release date: | 2012-10-19 | | Identifier: | 2-{[4-(2-chloro-4,5-dimethoxyphenyl)-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl}-N,N-dimethylacetamide |
|
 | | 8C1 | | Name: | 4-{[(3R)-piperidin-3-yl]oxy}-6-[(propan-2-yl)oxy]quinoline-7-carboxamide | | Formula: | C18 H23 N3 O3 | | SMILES: | c21cc(OC(C)C)c(cc1nccc2OC3CCCNC3)C(N)=O | | InChi: | InChI=1S/C18H23N3O3/c1-11(2)23-17-9-13-15(8-14(17)18(19)22)21-7-5-16(13)24-12-4-3-6-20-10-12/h5,7-9,11-12,20H,3-4,6,10H2,1-2H3,(H2,19,22)/t12-/m1/s1 | | Definition date: | 2017-01-18 | | Last modified: | 2020-06-01 | | Release date: | 2017-05-24 | | Identifier: | 4-{[(3R)-piperidin-3-yl]oxy}-6-[(propan-2-yl)oxy]quinoline-7-carboxamide |
|
 | | 4ZN | | Name: | (2S)-2-{[(R)-[(R)-amino(phenyl)methyl](hydroxy)phosphoryl]methyl}-4-methylpentanoic acid | | Formula: | C14 H22 N O4 P | | SMILES: | NC(c1ccccc1)P(CC(CC(C)C)C(=O)O)(O)=O | | InChi: | InChI=1S/C14H22NO4P/c1-10(2)8-12(14(16)17)9-20(18,19)13(15)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,15H2,1-2H3,(H,16,17)(H,18,19)/t12-,13-/m1/s1 | | Definition date: | 2015-07-02 | | Last modified: | 2020-06-01 | | Release date: | 2015-10-07 | | Identifier: | (2S)-2-{[(R)-[(R)-amino(phenyl)methyl](hydroxy)phosphoryl]methyl}-4-methylpentanoic acid |
|
 | | 0B1 | | Name: | 2-amino-6-[(1S,2R)-2-(3'-methoxybiphenyl-3-yl)cyclopropyl]-3-methylpyrimidin-4(3H)-one | | Formula: | C21 H21 N3 O2 | | SMILES: | O=C1C=C(N=C(N)N1C)C4CC4c3cccc(c2cccc(OC)c2)c3 | | InChi: | InChI=1S/C21H21N3O2/c1-24-20(25)12-19(23-21(24)22)18-11-17(18)15-7-3-5-13(9-15)14-6-4-8-16(10-14)26-2/h3-10,12,17-18H,11H2,1-2H3,(H2,22,23)/t17-,18-/m0/s1 | | Definition date: | 2012-07-26 | | Last modified: | 2020-06-01 | | Release date: | 2012-10-19 | | Identifier: | 2-amino-6-[(1S,2R)-2-(3'-methoxybiphenyl-3-yl)cyclopropyl]-3-methylpyrimidin-4(3H)-one |
|
 | | 8KG | | Name: | 2-[(5R,7S)-6-HYDROXY-2-PHENYLADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE | | Formula: | C21 H27 N O3 | | SMILES: | c1c(cccc1)C3(CC(=O)N2CC(O)C2)C4CC5CC3CC(C4)C5O | | InChi: | InChI=1S/C21H27NO3/c23-18-11-22(12-18)19(24)10-21(15-4-2-1-3-5-15)16-6-13-7-17(21)9-14(8-16)20(13)25/h1-5,13-14,16-18,20,23,25H,6-12H2/t13-,14+,16-,17+,20-,21-/m1/s1 | | Definition date: | 2017-02-10 | | Last modified: | 2020-06-01 | | Release date: | 2017-11-01 | | Identifier: | 1-(3-hydroxyazetidin-1-yl)-2-[(1R,2S,3S,5R,6S,7S)-6-hydroxy-2-phenyltricyclo[3.3.1.1~3,7~]decan-2-yl]ethan-1-one |
|
 | | 4M3 | | Name: | N-(4-carbamimidoylbenzoyl)-beta-alanyl-N-[(S)-carboxy(phenyl)methyl]-L-alpha-asparagine | | Formula: | C23 H25 N5 O7 | | SMILES: | c1cc(ccc1C(NCCC(NC(C(NC(c2ccccc2)C(O)=O)=O)CC(O)=O)=O)=O)/C(N)=N | | InChi: | InChI=1S/C23H25N5O7/c24-20(25)14-6-8-15(9-7-14)21(32)26-11-10-17(29)27-16(12-18(30)31)22(33)28-19(23(34)35)13-4-2-1-3-5-13/h1-9,16,19H,10-12H2,(H3,24,25)(H,26,32)(H,27,29)(H,28,33)(H,30,31)(H,34,35)/t16-,19-/m0/s1 | | Definition date: | 2015-04-14 | | Last modified: | 2020-06-01 | | Release date: | 2015-12-16 | | Identifier: | N-(4-carbamimidoylbenzoyl)-beta-alanyl-N-[(S)-carboxy(phenyl)methyl]-L-alpha-asparagine |
|
 | | GNJ | | Name: | 4-hydroxy-8-sulfoquinoline-3-carboxylic acid | | Formula: | C10 H7 N O6 S | | SMILES: | c1c(c2ncc(c(c2cc1)O)C(=O)O)S(O)(=O)=O | | InChi: | InChI=1S/C10H7NO6S/c12-9-5-2-1-3-7(18(15,16)17)8(5)11-4-6(9)10(13)14/h1-4H,(H,11,12)(H,13,14)(H,15,16,17) | | Definition date: | 2018-05-30 | | Last modified: | 2020-06-01 | | Release date: | 2019-05-29 | | Identifier: | 4-hydroxy-8-sulfoquinoline-3-carboxylic acid |
|
 | | YY1 | | Name: | 5-methyl-4H-1,2,4-triazole-3-thiol | | Formula: | C3 H5 N3 S | | SMILES: | Sc1nnc(n1)C | | InChi: | InChI=1S/C3H5N3S/c1-2-4-3(7)6-5-2/h1H3,(H2,4,5,6,7) | | Definition date: | 2014-10-24 | | Last modified: | 2020-05-30 | | Release date: | 2014-11-05 | | Identifier: | 5-methyl-4H-1,2,4-triazole-3-thiol |
|
 | | YY2 | | Name: | 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-tert-butylacetamide | | Formula: | C14 H21 Cl N2 O3 | | SMILES: | Clc1cc(cc(OC)c1OCC(=O)NC(C)(C)C)CN | | InChi: | InChI=1S/C14H21ClN2O3/c1-14(2,3)17-12(18)8-20-13-10(15)5-9(7-16)6-11(13)19-4/h5-6H,7-8,16H2,1-4H3,(H,17,18) | | Definition date: | 2014-10-24 | | Last modified: | 2020-05-30 | | Release date: | 2014-11-05 | | Identifier: | 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-tert-butylacetamide |
|
 | | 2XN | | Name: | N-{2-[5-(4-{(1R)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide | | Formula: | C20 H26 N6 O4 S3 | | SMILES: | O=S(=O)(NCCOc1c(OC)ccc(c1)c2nc(c(s2)C)C(Sc3nc(N)cc(n3)N)C)C | | InChi: | InChI=1S/C20H26N6O4S3/c1-11-18(12(2)32-20-24-16(21)10-17(22)25-20)26-19(31-11)13-5-6-14(29-3)15(9-13)30-8-7-23-33(4,27)28/h5-6,9-10,12,23H,7-8H2,1-4H3,(H4,21,22,24,25)/t12-/m1/s1 | | Definition date: | 2014-04-08 | | Last modified: | 2020-05-30 | | Release date: | 2014-11-05 | | Identifier: | N-{2-[5-(4-{(1R)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide |
|
 | | N0Z | | Name: | 2,4-bis(azanyl)-9~{H}-pyrimido[4,5-b]indol-6-ol | | Formula: | C10 H9 N5 O | | SMILES: | Nc1nc(N)c2c([nH]c3ccc(O)cc23)n1 | | InChi: | InChI=1S/C10H9N5O/c11-8-7-5-3-4(16)1-2-6(5)13-9(7)15-10(12)14-8/h1-3,16H,(H5,11,12,13,14,15) | | Definition date: | 2019-11-05 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | 2,4-bis(azanyl)-9~{H}-pyrimido[4,5-b]indol-6-ol |
|
 | | U0A | | Name: | 11-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide | | Formula: | C22 H19 N3 O4 S2 | | SMILES: | c14c(cc(cc1)C(=O)NCCc2ccc(cc2)S(N)(=O)=O)NC(c3ccccc3S4)=O | | InChi: | InChI=1S/C22H19N3O4S2/c23-31(28,29)16-8-5-14(6-9-16)11-12-24-21(26)15-7-10-20-18(13-15)25-22(27)17-3-1-2-4-19(17)30-20/h1-10,13H,11-12H2,(H,24,26)(H,25,27)(H2,23,28,29) | | Definition date: | 2020-04-06 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | 11-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
|
 | | K75 | | Name: | (8~{R})-~{N}2-methyl-8-prop-1-ynyl-7,8-dihydro-3~{H}-imidazo[4,5-g]quinazoline-2,6-diamine | | Formula: | C13 H14 N6 | | SMILES: | CNc1[nH]c2cc3N=C(N)N[CH](C#CC)c3cc2n1 | | InChi: | InChI=1S/C13H14N6/c1-3-4-8-7-5-10-11(19-13(15-2)18-10)6-9(7)17-12(14)16-8/h5-6,8H,1-2H3,(H3,14,16,17)(H2,15,18,19)/t8-/m1/s1 | | Definition date: | 2019-05-01 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | (8~{R})-~{N}2-methyl-8-prop-1-ynyl-7,8-dihydro-3~{H}-imidazo[4,5-g]quinazoline-2,6-diamine |
|
 | | K7H | | Name: | ~{N}2-methyl-7,8-dihydro-3~{H}-imidazo[4,5-g]quinazoline-2,6-diamine | | Formula: | C10 H12 N6 | | SMILES: | CNc1[nH]c2cc3N=C(N)NCc3cc2n1 | | InChi: | InChI=1S/C10H12N6/c1-12-10-15-7-2-5-4-13-9(11)14-6(5)3-8(7)16-10/h2-3H,4H2,1H3,(H3,11,13,14)(H2,12,15,16) | | Definition date: | 2019-05-01 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | ~{N}2-methyl-7,8-dihydro-3~{H}-imidazo[4,5-g]quinazoline-2,6-diamine |
|
