 | | 6UR | | Name: | [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[2-(1~{H}-indol-3-yl)ethyl]p
hosphonamidic acid | | Formula: | C20 H24 N7 O6 P | | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)NCCc4c[nH]c5ccccc45)[CH](O)[CH]3O | | InChi: | InChI=1S/C20H24N7O6P/c21-18-15-19(24-9-23-18)27(10-25-15)20-17(29)16(28)14(33-20)8-32-34(30,31)26-6-5-11-7-22-13-4-2-1-3-12(11)13/h1-4,7,9-10,14,16-17,20,22,28-29H,5-6,8H2,(H2,21,23,24)(H2,26,30,31)/t14-,16-,17-,20-/m1/s1 | | Synonyms: | TpAd | | Definition date: | 2016-06-28 | | Last modified: | 2020-06-17 | | Release date: | 2017-06-28 | | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[2-(1~{H}-indol-3-yl)ethyl]phosphonamidic acid |
|
 | | 6UT | | Name: | [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[(2~
{S})-3-(1~{H}-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]phosphonamidic acid | | Formula: | C22 H27 N8 O8 P | | SMILES: | CNC(=O)[CH](Cc1c[nH]c2ccccc12)N[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5C(=O)NC(=Nc45)N | | InChi: | InChI=1S/C22H27N8O8P/c1-24-19(33)13(6-10-7-25-12-5-3-2-4-11(10)12)29-39(35,36)37-8-14-16(31)17(32)21(38-14)30-9-26-15-18(30)27-22(23)28-20(15)34/h2-5,7,9,13-14,16-17,21,25,31-32H,6,8H2,1H3,(H,24,33)(H2,29,35,36)(H3,23,27,28,34)/t13-,14+,16+,17+,21+/m0/s1 | | Synonyms: | L-Trp-G | | Definition date: | 2016-06-28 | | Last modified: | 2020-06-17 | | Release date: | 2017-06-28 | | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[(2~{S})-3-(1~{H}-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]phosphonamidic acid |
|
 | | 6UZ | | Name: | omega-undecylenyl-beta-D-maltopyranoside | | Formula: | C23 H42 O11 | | SMILES: | OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](OCCCCCCCCCC=C)O[CH]2CO)[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C23H42O11/c1-2-3-4-5-6-7-8-9-10-11-31-22-20(30)18(28)21(15(13-25)33-22)34-23-19(29)17(27)16(26)14(12-24)32-23/h2,14-30H,1,3-13H2/t14-,15-,16-,17+,18-,19-,20-,21-,22-,23-/m1/s1 | | Synonyms: | (2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(2~{R},3~{S},4~{R},5~{R},6~{R})-2-(hydroxymethyl)-4,5-bis(oxidanyl
)-6-undec-10-enoxy-oxan-3-yl]oxy-oxane-3,4,5-triol | | Definition date: | 2016-06-29 | | Last modified: | 2020-06-17 | | Release date: | 2017-03-22 | | Identifier: | (2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(2~{R},3~{S},4~{R},5~{R},6~{R})-2-(hydroxymethyl)-4,5-bis(oxidanyl)-6-undec-10-enoxy-oxan-3-yl]oxy-oxane-3,4,5-triol |
|
 | | 6VW | | Name: | (8~{R},9~{S},10~{R},13~{S},14~{S},17~{S})-13-methyl-17-oxidanyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1~{H}-cyclop
enta[a]phenanthren-3-one | | Formula: | C18 H26 O2 | | SMILES: | C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[CH]34)[CH]1CC[CH]2O | | InChi: | InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1 | | Synonyms: | 19-nortestosterone | | Definition date: | 2016-07-06 | | Last modified: | 2020-06-17 | | Release date: | 2016-09-07 | | Identifier: | (8~{R},9~{S},10~{R},13~{S},14~{S},17~{S})-13-methyl-17-oxidanyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-one |
|
 | | 6W7 | | Name: | [(3~{S},4~{R})-4-(6-oxidanylidene-1~{H}-purin-9-yl)pyrrolidin-3-yl]oxymethylphosphonic acid | | Formula: | C10 H14 N5 O5 P | | SMILES: | O[P](O)(=O)CO[CH]1CNC[CH]1n2cnc3C(=O)NC=Nc23 | | InChi: | InChI=1S/C10H14N5O5P/c16-10-8-9(12-3-13-10)15(4-14-8)6-1-11-2-7(6)20-5-21(17,18)19/h3-4,6-7,11H,1-2,5H2,(H,12,13,16)(H2,17,18,19)/t6-,7+/m1/s1 | | Synonyms: | [3S,4R]-(4-(Hypoxanthin-9-yl)pyrrolidin-3-yl)-oxymethanephosphonic acid | | Definition date: | 2016-07-08 | | Last modified: | 2020-06-17 | | Release date: | 2017-09-20 | | Identifier: | [(3~{S},4~{R})-4-(6-oxidanylidene-1~{H}-purin-9-yl)pyrrolidin-3-yl]oxymethylphosphonic acid |
|
 | | 6W8 | | Name: | [(3~{S},4~{R})-4-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)pyrrolidin-3-yl]oxymethylphosphonic acid | | Formula: | C10 H15 N6 O5 P | | SMILES: | NC1=Nc2n(cnc2C(=O)N1)[CH]3CNC[CH]3OC[P](O)(O)=O | | InChi: | InChI=1S/C10H15N6O5P/c11-10-14-8-7(9(17)15-10)13-3-16(8)5-1-12-2-6(5)21-4-22(18,19)20/h3,5-6,12H,1-2,4H2,(H2,18,19,20)(H3,11,14,15,17)/t5-,6+/m1/s1 | | Synonyms: | [3S,4R]-(4-(Guanin-9-yl)pyrrolidin-3-yl)oxymethanephosphonic acid | | Definition date: | 2016-07-08 | | Last modified: | 2020-06-17 | | Release date: | 2017-09-20 | | Identifier: | [(3~{S},4~{R})-4-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)pyrrolidin-3-yl]oxymethylphosphonic acid |
|
 | | 6WN | | Name: | (8~{R},9~{S},13~{S},14~{S},16~{E})-13-methyl-3-oxidanyl-16-(phenylmethylidene)-6,7,8,9,11,12,14,15-octahydrocyclopenta[
a]phenanthren-17-one | | Formula: | C25 H26 O2 | | SMILES: | C[C]12CC[CH]3[CH](CCc4cc(O)ccc34)[CH]1CC(=Cc5ccccc5)C2=O | | InChi: | InChI=1S/C25H26O2/c1-25-12-11-21-20-10-8-19(26)14-17(20)7-9-22(21)23(25)15-18(24(25)27)13-16-5-3-2-4-6-16/h2-6,8,10,13-14,21-23,26H,7,9,11-12,15H2,1H3/b18-13+/t21-,22-,23+,25+/m1/s1 | | Synonyms: | 16-benzylidene estrone | | Definition date: | 2016-07-11 | | Last modified: | 2020-06-17 | | Release date: | 2017-02-15 | | Identifier: | (8~{R},9~{S},13~{S},14~{S},16~{E})-13-methyl-3-oxidanyl-16-(phenylmethylidene)-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one |
|
 | | 6Y1 | | Name: | ~{N}-(1-adamantyl)-2-selanyl-benzamide | | Formula: | C17 H21 N O Se | | SMILES: | [SeH]c1ccccc1C(=O)NC23CC4CC(CC(C4)C2)C3 | | InChi: | InChI=1S/C17H21NOSe/c19-16(14-3-1-2-4-15(14)20)18-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13,20H,5-10H2,(H,18,19)/t11-,12+,13-,17- | | Synonyms: | Adamantyl Ebselen (open form) | | Definition date: | 2016-07-21 | | Last modified: | 2020-06-17 | | Release date: | 2017-03-29 | | Identifier: | ~{N}-(1-adamantyl)-2-selanyl-benzamide |
|
 | | 6ZV | | Name: | N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]py
rimidin-2-amine | | Formula: | C27 H32 F2 N8 | | SMILES: | C(C)N1CCN(CC1)Cc5ccc(Nc2nc(c(F)cn2)c4cc3c(nc(C)n3C(C)C)c(c4)F)nc5 | | InChi: | InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34) | | Synonyms: | Abemaciclib | | Definition date: | 2016-08-03 | | Last modified: | 2020-06-17 | | Release date: | 2016-08-23 | | Identifier: | N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]pyrimidin-2-amine |
|
 | | 6ZZ | | Name: | 7-cyclopentyl-N,N-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide | | Formula: | C23 H30 N8 O | | SMILES: | c1(nc2c(cn1)cc(C(N(C)C)=O)n2C3CCCC3)Nc4ncc(cc4)N5CCNCC5 | | InChi: | InChI=1S/C23H30N8O/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28) | | Synonyms: | Ribociclib | | Definition date: | 2016-08-03 | | Last modified: | 2020-06-17 | | Release date: | 2016-08-23 | | Identifier: | 7-cyclopentyl-N,N-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide |
|
 | | 715 | | Name: | (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A
MINE | | Formula: | C16 H15 F6 N5 O | | SMILES: | Fc1cc(c(F)cc1F)CC(N)CC(=O)N3Cc2nnc(n2CC3)C(F)(F)F | | InChi: | InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1 | | Synonyms: | Sitagliptin | | Definition date: | 2004-08-16 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine |
|
 | | 71C | | Name: | 5-{[(3-phenoxyphenyl)methyl][(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid | | Formula: | C33 H27 N O8 | | SMILES: | c1(c(cc(C(O)=O)c(c1)C(=O)O)C(O)=O)C(=O)N(Cc2cccc(c2)Oc3ccccc3)C4CCCc5ccccc45 | | InChi: | InChI=1S/C33H27NO8/c35-30(25-17-27(32(38)39)28(33(40)41)18-26(25)31(36)37)34(29-15-7-10-21-9-4-5-14-24(21)29)19-20-8-6-13-23(16-20)42-22-11-2-1-3-12-22/h1-6,8-9,11-14,16-18,29H,7,10,15,19H2,(H,36,37)(H,38,39)(H,40,41)/t29-/m0/s1 | | Synonyms: | antagonist A-317491 | | Definition date: | 2016-08-10 | | Last modified: | 2020-06-17 | | Release date: | 2016-10-05 | | Identifier: | 5-{[(3-phenoxyphenyl)methyl][(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid |
|
 | | 71D | | Name: | (2R)-3-[4-amino-5-(4-chlorophenyl)-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-(propan-2-yl)propanami
de | | Formula: | C22 H25 Cl N6 O2 | | SMILES: | c3nc(c1c(n(CCOC)c(c1c2ccc(Cl)cc2)CC(C#N)C(NC(C)C)=O)n3)N | | InChi: | InChI=1S/C22H25ClN6O2/c1-13(2)28-22(30)15(11-24)10-17-18(14-4-6-16(23)7-5-14)19-20(25)26-12-27-21(19)29(17)8-9-31-3/h4-7,12-13,15H,8-10H2,1-3H3,(H,28,30)(H2,25,26,27)/t15-/m1/s1 | | Synonyms: | Rao-IV-151, bound form | | Definition date: | 2016-08-10 | | Last modified: | 2020-06-17 | | Release date: | 2017-08-16 | | Identifier: | (2R)-3-[4-amino-5-(4-chlorophenyl)-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-(propan-2-yl)propanamide |
|
 | | 71E | | Name: | DZ 2384 | | Formula: | C34 H36 F N5 O7 | | SMILES: | CC(C)[CH](O)C(=O)N[CH]1Cc2ccc3O[CH]4Nc5ccc(F)cc5[C]4(c6oc(nc6c7occ(CO)n7)[CH](NC1=O)C(C)(C)C)c3c2 | | InChi: | InChI=1S/C34H36FN5O7/c1-15(2)25(42)29(44)37-22-11-16-6-9-23-20(10-16)34(19-12-17(35)7-8-21(19)38-32(34)46-23)27-24(30-36-18(13-41)14-45-30)39-31(47-27)26(33(3,4)5)40-28(22)43/h6-10,12,14-15,22,25-26,32,38,41-42H,11,13H2,1-5H3,(H,37,44)(H,40,43)/t22-,25+,26+,32+,34-/m0/s1 | | Synonyms: | optimized synthetic derivative of diazonamide AB-5 | | Definition date: | 2016-08-11 | | Last modified: | 2020-06-17 | | Release date: | 2016-11-30 |
|
 | | 71I | | Name: | (3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-2-(butylamino)-5-(hydroxymethyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d]
[1,3]thiazole-6,7-diol | | Formula: | C11 H20 N2 O4 S | | SMILES: | CCCCNC1=N[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2S1 | | InChi: | InChI=1S/C11H20N2O4S/c1-2-3-4-12-11-13-7-9(16)8(15)6(5-14)17-10(7)18-11/h6-10,14-16H,2-5H2,1H3,(H,12,13)/t6-,7-,8-,9-,10-/m1/s1 | | Synonyms: | Butylaminothiazoline | | Definition date: | 2015-10-21 | | Last modified: | 2020-06-17 | | Release date: | 2016-08-31 | | Identifier: | (3aR,5R,6S,7R,7aR)-2-(butylamino)-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol |
|
 | | 71Y | | Name: | ~{N}-[(1~{S},2~{S})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole
-2-carboxamide | | Formula: | C20 H23 Cl N2 O3 | | SMILES: | CCc1c([nH]c(C)c1C(C)=O)C(=O)N[CH]2[CH](O)CCc3ccc(Cl)cc23 | | InChi: | InChI=1S/C20H23ClN2O3/c1-4-14-17(11(3)24)10(2)22-19(14)20(26)23-18-15-9-13(21)7-5-12(15)6-8-16(18)25/h5,7,9,16,18,22,25H,4,6,8H2,1-3H3,(H,23,26)/t16-,18-/m0/s1 | | Synonyms: | I-p300 | | Definition date: | 2016-08-14 | | Last modified: | 2020-06-17 | | Release date: | 2017-08-16 | | Identifier: | ~{N}-[(1~{S},2~{S})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide |
|
 | | 72E | | Name: | 4-(2-methylphenyl)-benzenesulfonamide | | Formula: | C13 H13 N O2 S | | SMILES: | Cc1c(cccc1)c2ccc(S(=O)(=O)N)cc2 | | InChi: | InChI=1S/C13H13NO2S/c1-10-4-2-3-5-13(10)11-6-8-12(9-7-11)17(14,15)16/h2-9H,1H3,(H2,14,15,16) | | Synonyms: | 2'-methyl[1,1'-biphenyl]-4-sulfonamide | | Definition date: | 2016-08-15 | | Last modified: | 2020-06-17 | | Release date: | 2016-12-21 | | Identifier: | 2'-methyl[1,1'-biphenyl]-4-sulfonamide |
|
 | | 72G | | Name: | 4-(3-formylphenyl)-benzenesulfonamide | | Formula: | C13 H11 N O3 S | | SMILES: | O=Cc1cc(ccc1)c2ccc(S(=O)(=O)N)cc2 | | InChi: | InChI=1S/C13H11NO3S/c14-18(16,17)13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-15/h1-9H,(H2,14,16,17) | | Synonyms: | 3'-formyl[1,1'-biphenyl]-4-sulfonamide | | Definition date: | 2016-08-15 | | Last modified: | 2020-06-17 | | Release date: | 2016-12-21 | | Identifier: | 3'-formyl[1,1'-biphenyl]-4-sulfonamide |
|
 | | 72H | | Name: | 4-(3-quinolinyl)-benzenesulfonamide | | Formula: | C15 H12 N2 O2 S | | SMILES: | c2c1ccccc1ncc2c3ccc(S(=O)(=O)N)cc3 | | InChi: | InChI=1S/C15H12N2O2S/c16-20(18,19)14-7-5-11(6-8-14)13-9-12-3-1-2-4-15(12)17-10-13/h1-10H,(H2,16,18,19) | | Synonyms: | 4-(quinolin-3-yl)benzene-1-sulfonamide | | Definition date: | 2016-08-15 | | Last modified: | 2020-06-17 | | Release date: | 2016-12-21 | | Identifier: | 4-(quinolin-3-yl)benzene-1-sulfonamide |
|
 | | 74T | | Name: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl
{(2S,3R)-4-[({2-[(1-cyclopentylpiperidin-4-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-p
henylbutan-2-yl}carbamate | | Formula: | C38 H53 N5 O7 S2 | | SMILES: | O=C(OC1C2CCOC2OC1)NC(Cc3ccccc3)C(O)CN(CC(C)C)S(=O)(=O)c4ccc5nc(sc5c4)NC7CCN(C6CCCC6)CC7 | | InChi: | InChI=1S/C38H53N5O7S2/c1-25(2)22-43(23-33(44)32(20-26-8-4-3-5-9-26)41-38(45)50-34-24-49-36-30(34)16-19-48-36)52(46,47)29-12-13-31-35(21-29)51-37(40-31)39-27-14-17-42(18-15-27)28-10-6-7-11-28/h3-5,8-9,12-13,21,25,27-28,30,32-34,36,44H,6-7,10-11,14-20,22-24H2,1-2H3,(H,39,40)(H,41,45)/t30-,32-,33+,34-,36+/m0/s1 | | Synonyms: | TMC310911 | | Definition date: | 2011-03-22 | | Last modified: | 2020-06-17 | | Identifier: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({2-[(1-cyclopentylpiperidin-4-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate |
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 | | 74X | | Name: | 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[[(2R,3S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxol
an-2-yl]methyl]thiourea | | Formula: | C18 H18 Cl F3 N4 O4 S | | SMILES: | FC(F)(F)c1cc(ccc1Cl)NC(=S)NCC3OC(N2C(=O)NC(=O)C(=C2)C)CC3O | | InChi: | InChI=1S/C18H18ClF3N4O4S/c1-8-7-26(17(29)25-15(8)28)14-5-12(27)13(30-14)6-23-16(31)24-9-2-3-11(19)10(4-9)18(20,21)22/h2-4,7,12-14,27H,5-6H2,1H3,(H2,23,24,31)(H,25,28,29)/t12-,13+,14-/m0/s1 | | Synonyms: | (THIO)UREA-ALPHA-DEOXYTHYMIDINE DERIVATIVE | | Definition date: | 2012-10-24 | | Last modified: | 2020-06-17 | | Release date: | 2013-07-24 | | Identifier: | 5'-({[4-chloro-3-(trifluoromethyl)phenyl]carbamothioyl}amino)-2',5'-dideoxy-3,4-dihydrothymidine |
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 | | 75D | | Name: | 2,4,6-tri(propan-2-yl)benzenesulfonic acid | | Formula: | C15 H24 O3 S | | SMILES: | O=S(=O)(O)c1c(cc(cc1C(C)C)C(C)C)C(C)C | | InChi: | InChI=1S/C15H24O3S/c1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,16,17,18) | | Synonyms: | 2,4,6-triisopropylbenzenesulfonic acid | | Definition date: | 2013-12-13 | | Last modified: | 2020-06-17 | | Release date: | 2014-11-19 | | Identifier: | 2,4,6-tri(propan-2-yl)benzenesulfonic acid |
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 | | 75U | | Name: | ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate | | Formula: | C22 H25 Br N2 O3 S | | SMILES: | c1(CN(C)C)c(O)c(cc2c1c(C(OCC)=O)c(n2C)CSc3ccccc3)Br | | InChi: | InChI=1S/C22H25BrN2O3S/c1-5-28-22(27)20-18(13-29-14-9-7-6-8-10-14)25(4)17-11-16(23)21(26)15(19(17)20)12-24(2)3/h6-11,26H,5,12-13H2,1-4H3 | | Synonyms: | Arbidol | | Definition date: | 2016-09-02 | | Last modified: | 2020-06-17 | | Release date: | 2017-01-04 | | Identifier: | ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate |
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 | | 6ET | | Name: | capsazepine | | Formula: | C19 H21 Cl N2 O2 S | | SMILES: | c12cc(c(O)cc1CCCN(C2)C(=S)NCCc3ccc(cc3)Cl)O | | InChi: | InChI=1S/C19H21ClN2O2S/c20-16-5-3-13(4-6-16)7-8-21-19(25)22-9-1-2-14-10-17(23)18(24)11-15(14)12-22/h3-6,10-11,23-24H,1-2,7-9,12H2,(H,21,25) | | Synonyms: | N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2H-2-benzazepine-2-carbothioamide | | Definition date: | 2016-03-23 | | Last modified: | 2020-06-17 | | Release date: | 2016-05-25 | | Identifier: | N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2H-2-benzazepine-2-carbothioamide |
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 | | 6J0 | | Name: | N-[2-(3-fluorophenyl)ethyl]-N'-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethane-1,2-diamine | | Formula: | C17 H19 F N6 | | SMILES: | Fc1cccc(c1)CCNCCNc2nc(ncc2)n3ccnc3 | | InChi: | InChI=1S/C17H19FN6/c18-15-3-1-2-14(12-15)4-6-19-8-9-21-16-5-7-22-17(23-16)24-11-10-20-13-24/h1-3,5,7,10-13,19H,4,6,8-9H2,(H,21,22,23) | | Synonyms: | (N1-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-N2-(3-fluorophenethyl)ethane-1,2-diamine | | Definition date: | 2014-10-21 | | Last modified: | 2020-06-17 | | Release date: | 2014-12-24 | | Identifier: | N-[2-(3-fluorophenyl)ethyl]-N'-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethane-1,2-diamine |
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