 | | 8V2 | | Name: | methyl
(3~{S},7~{R},10~{R},13~{R})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylid
ene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,
7}]tridec-8-ene-13-carboxylate | | Formula: | C36 H42 Cl N5 O7 | | SMILES: | COC(=O)[CH]1CC[CH]2C=C[CH]3CCN([CH]3C(=O)N12)C(=O)[CH]4CC[CH]5C=C[C]6(CCCN6C(=O)[CH](Cc7ccccc7Cl)NC(C)=O)C(=O)N45 | | InChi: | InChI=1S/C36H42ClN5O7/c1-21(43)38-27(20-23-6-3-4-7-26(23)37)31(44)40-18-5-16-36(40)17-14-25-10-12-28(42(25)35(36)48)32(45)39-19-15-22-8-9-24-11-13-29(34(47)49-2)41(24)33(46)30(22)39/h3-4,6-9,14,17,22,24-25,27-30H,5,10-13,15-16,18-20H2,1-2H3,(H,38,43)/t22-,24-,25-,27-,28-,29+,30-,36+/m0/s1 | | Synonyms: | Ac-[2-Cl-F]-[ProM-2]-[ProM-12]-OMe | | Definition date: | 2017-03-10 | | Last modified: | 2020-06-17 | | Release date: | 2018-03-21 | | Identifier: | methyl (3~{S},7~{R},10~{R},13~{R})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylate |
|
 | | 8VY | | Name: | 1,3-bis(bromomethyl)benzene | | Formula: | C8 H8 Br2 | | SMILES: | BrCc1cccc(CBr)c1 | | InChi: | InChI=1S/C8H8Br2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6H2 | | Synonyms: | alpha,alpha'-dibromo-m-xylene | | Definition date: | 2017-03-08 | | Last modified: | 2020-06-17 | | Release date: | 2017-07-19 | | Identifier: | 1,3-bis(bromomethyl)benzene |
|
 | | 8W3 | | Name: | 2-amino-4-((R)-1-((R,Z)-6-(5-chloro-2-methoxybenzyl)-7-oxo-3-(phenoxyimino)-1,4-diazepane-1-carboxamido)propyl)benzoic
acid | | Formula: | C30 H32 Cl N5 O6 | | SMILES: | CC[CH](NC(=O)N1CC(NC[CH](Cc2cc(Cl)ccc2OC)C1=O)=NOc3ccccc3)c4ccc(C(O)=O)c(N)c4 | | InChi: | InChI=1S/C30H32ClN5O6/c1-3-25(18-9-11-23(29(38)39)24(32)15-18)34-30(40)36-17-27(35-42-22-7-5-4-6-8-22)33-16-20(28(36)37)13-19-14-21(31)10-12-26(19)41-2/h4-12,14-15,20,25H,3,13,16-17,32H2,1-2H3,(H,33,35)(H,34,40)(H,38,39)/t20-,25-/m1/s1 | | Synonyms: | 2-azanyl-4-[(1R)-1-[[(3Z,6R)-6-[(5-chloranyl-2-methoxy-phenyl)methyl]-7-oxidanylidene-3-phenoxyimino-1,4-diazepan-1-yl]
carbonylamino]propyl]benzoic acid | | Definition date: | 2017-10-12 | | Last modified: | 2020-06-17 | | Release date: | 2017-12-27 | | Identifier: | 2-azanyl-4-[(1~{R})-1-[[(3~{Z},6~{R})-6-[(5-chloranyl-2-methoxy-phenyl)methyl]-7-oxidanylidene-3-phenoxyimino-1,4-diazepan-1-yl]carbonylamino]propyl]benzoic acid |
|
 | | 8WF | | Name: | 2-dodecyl-1-oxidanidyl-quinolin-1-ium-4-ol | | Formula: | C21 H31 N O2 | | SMILES: | CCCCCCCCCCCCc1cc(O)c2ccccc2[n+]1[O-] | | InChi: | InChI=1S/C21H31NO2/c1-2-3-4-5-6-7-8-9-10-11-14-18-17-21(23)19-15-12-13-16-20(19)22(18)24/h12-13,15-17,23H,2-11,14H2,1H3 | | Synonyms: | 2-dodecyl -4-HYDROXY QUINOLINE N-OXIDE | | Definition date: | 2017-10-16 | | Last modified: | 2020-06-17 | | Release date: | 2018-02-14 | | Identifier: | 2-dodecyl-1-oxidanidyl-quinolin-1-ium-4-ol |
|
 | | 8YA | | Name: | 3-amino-1-{4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl}propan-1-one | | Formula: | C23 H23 Cl F N7 O | | SMILES: | c4cc(C)c(c1c(Cl)cc2c(ncnc2c1F)N3CCN(C(CCN)=O)CC3)c5cnnc45 | | InChi: | InChI=1S/C23H23ClFN7O/c1-13-2-3-17-15(11-29-30-17)19(13)20-16(24)10-14-22(21(20)25)27-12-28-23(14)32-8-6-31(7-9-32)18(33)4-5-26/h2-3,10-12H,4-9,26H2,1H3,(H,29,30) | | Synonyms: | KRAS(G12C) inhibitor, aziridine form, bound form | | Definition date: | 2017-03-20 | | Last modified: | 2020-06-17 | | Release date: | 2017-06-28 | | Identifier: | 3-amino-1-{4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl}propan-1-one |
|
 | | 8YF | | Name: | (2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole
-5-carboxylic acid | | Formula: | C12 H19 N3 O5 S | | SMILES: | C[CH](O)[CH]([CH]1CC(=C(N1)C(O)=O)SCCNC=N)C(O)=O | | InChi: | InChI=1S/C12H19N3O5S/c1-6(16)9(11(17)18)7-4-8(10(15-7)12(19)20)21-3-2-14-5-13/h5-7,9,15-16H,2-4H2,1H3,(H2,13,14)(H,17,18)(H,19,20)/t6-,7-,9-/m1/s1 | | Synonyms: | Imipenem, hydrolyzed form | | Definition date: | 2017-11-08 | | Last modified: | 2020-06-17 | | Release date: | 2018-02-21 | | Identifier: | (2~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1~{H}-pyrrole-5-carboxylic acid |
|
 | | 8YL | | Name: | (2S,3R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfan
yl-3-methyl-2,3-dihydro-1H-pyrrole-5-carboxylic acid | | Formula: | C17 H27 N3 O6 S | | SMILES: | C[CH](O)[CH]([CH]1NC(=C(S[CH]2CN[CH](C2)C(=O)N(C)C)[CH]1C)C(O)=O)C(O)=O | | InChi: | InChI=1S/C17H27N3O6S/c1-7-12(11(8(2)21)16(23)24)19-13(17(25)26)14(7)27-9-5-10(18-6-9)15(22)20(3)4/h7-12,18-19,21H,5-6H2,1-4H3,(H,23,24)(H,25,26)/t7-,8-,9+,10+,11-,12-/m1/s1 | | Synonyms: | Meropenem, hydrolyzed form | | Definition date: | 2017-11-08 | | Last modified: | 2020-06-17 | | Release date: | 2017-12-13 | | Identifier: | (2~{S},3~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-3-methyl-2,3-dihydro-1~{H}-pyrrole-5-carboxylic acid |
|
 | | 8Z0 | | Name: | (4R)-N-[(2,6-dimethylphenyl)methyl]-3-[(2S,3S)-3-[[(2S)-2-[(7-methoxy-1-benzofuran-2-yl)carbonylamino]-2-[(3R)-oxolan-3
-yl]ethanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide | | Formula: | C41 H48 N4 O8 S | | SMILES: | COc1cccc2cc(oc12)C(=O)N[CH]([CH]3CCOC3)C(=O)N[CH](Cc4ccccc4)[CH](O)C(=O)N5CSC(C)(C)[CH]5C(=O)NCc6c(C)cccc6C | | InChi: | InChI=1S/C41H48N4O8S/c1-24-11-9-12-25(2)29(24)21-42-39(49)36-41(3,4)54-23-45(36)40(50)34(46)30(19-26-13-7-6-8-14-26)43-38(48)33(28-17-18-52-22-28)44-37(47)32-20-27-15-10-16-31(51-5)35(27)53-32/h6-16,20,28,30,33-34,36,46H,17-19,21-23H2,1-5H3,(H,42,49)(H,43,48)(H,44,47)/t28-,30-,33-,34-,36+/m0/s1 | | Synonyms: | KNI-1657 | | Definition date: | 2017-11-09 | | Last modified: | 2020-06-17 | | Release date: | 2018-07-11 | | Identifier: | (4~{R})-~{N}-[(2,6-dimethylphenyl)methyl]-3-[(2~{S},3~{S})-3-[[(2~{S})-2-[(7-methoxy-1-benzofuran-2-yl)carbonylamino]-2-[(3~{R})-oxolan-3-yl]ethanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide |
|
 | | 90L | | Name: | (1R,2R,3R)-5-[(E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]e
thenyl]-2-(3-oxidanylpropyl)cyclohex-4-ene-1,3-diol | | Formula: | C29 H48 O4 | | SMILES: | C[CH](CCCC(C)(C)O)[CH]1CC[CH]2C(=CCC[C]12C)C=CC3=C[CH](O)[CH](CCCO)[CH](O)C3 | | InChi: | InChI=1S/C29H48O4/c1-20(8-5-15-28(2,3)33)24-13-14-25-22(9-6-16-29(24,25)4)12-11-21-18-26(31)23(10-7-17-30)27(32)19-21/h9,11-12,18,20,23-27,30-33H,5-8,10,13-17,19H2,1-4H3/b12-11+/t20-,23+,24-,25-,26-,27-,29-/m1/s1 | | Synonyms: | (1R,2R,3R)-5-[(E)-2-{(1R,3aS,7aR)-1-[(R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl
}vinyl]-2-(3-hydroxypropyl)cyclohex-4-ene-1,3-diol | | Definition date: | 2017-11-22 | | Last modified: | 2020-06-17 | | Release date: | 2018-04-11 | | Identifier: | (1~{R},2~{R},3~{R})-5-[(~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-1,2,3,3~{a},6,7-hexahydroinden-4-yl]ethenyl]-2-(3-oxidanylpropyl)cyclohex-4-ene-1,3-diol |
|
 | | 90R | | Name: | 5-hydroxy-2-methylnaphthalene-1,4-dione | | Formula: | C11 H8 O3 | | SMILES: | O=C2c1c(cccc1O)C(C(C)=C2)=O | | InChi: | InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3 | | Synonyms: | plumbagin | | Definition date: | 2017-11-22 | | Last modified: | 2020-06-17 | | Release date: | 2018-11-21 | | Identifier: | 5-hydroxy-2-methylnaphthalene-1,4-dione |
|
 | | 913 | | Name: | (3-PYRAZOL-1-YLPHENYL)METHANAMINE | | Formula: | C10 H11 N3 | | SMILES: | n1cccn1c2cccc(c2)CN | | InChi: | InChI=1S/C10H11N3/c11-8-9-3-1-4-10(7-9)13-6-2-5-12-13/h1-7H,8,11H2 | | Synonyms: | FRAGMENT CC32913 | | Definition date: | 2011-12-08 | | Last modified: | 2020-06-17 | | Identifier: | 1-[3-(1H-pyrazol-1-yl)phenyl]methanamine |
|
 | | 914 | | Name: | [(2R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic
acid | | Formula: | C10 H13 F N5 O11 P3 | | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](OC[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)C=C3F | | InChi: | InChI=1S/C10H13FN5O11P3/c11-5-1-6(24-4-28(17,18)26-30(22,23)27-29(19,20)21)25-10(5)16-3-15-7-8(12)13-2-14-9(7)16/h1-3,6,10H,4H2,(H,17,18)(H,22,23)(H2,12,13,14)(H2,19,20,21)/t6-,10+/m0/s1 | | Synonyms: | [(5-(6-amino-purin-9-yl)-4-fluoro-2,5-dihydro-furan-2-yloxymethyl)phosphonate-diphosphate] | | Definition date: | 2009-11-24 | | Last modified: | 2020-06-17 | | Identifier: | [(2R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic acid |
|
 | | 925 | | Name: | 3-[7-[(3-hydroxyphenyl)amino]pyrazolo[1,5-a]pyrimidin-2-yl]-N-(1-hydroxy-2,2,6,6-tetramethyl-piperidin-4-yl)benzamide | | Formula: | C28 H32 N6 O3 | | SMILES: | CC1(C)CC(CC(C)(C)N1O)NC(=O)c2cccc(c2)c3cc4nccc(Nc5cccc(O)c5)n4n3 | | InChi: | InChI=1S/C28H32N6O3/c1-27(2)16-21(17-28(3,4)34(27)37)31-26(36)19-8-5-7-18(13-19)23-15-25-29-12-11-24(33(25)32-23)30-20-9-6-10-22(35)14-20/h5-15,21,30,35,37H,16-17H2,1-4H3,(H,31,36) | | Synonyms: | N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-3-(7-(3-hydroxyphenylamino)pyrazolo[1,5-a]pyrimidin-2-yl)benzamide | | Definition date: | 2010-01-20 | | Last modified: | 2020-06-17 | | Identifier: | 3-[7-[(3-hydroxyphenyl)amino]pyrazolo[1,5-a]pyrimidin-2-yl]-N-(1-hydroxy-2,2,6,6-tetramethyl-piperidin-4-yl)benzamide |
|
 | | 92L | | Name: | 2-[(4-methylsulfonyl-2-nitro-phenyl)-oxidanyl-methylidene]cyclohexane-1,3-dione | | Formula: | C14 H13 N O7 S | | SMILES: | C[S](=O)(=O)c1ccc([C](O)=[C]2C(=O)C[CH2]CC2=O)c(c1)[N+]([O-])=O | | InChi: | InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,18H,2-4H2,1H3 | | Synonyms: | Mesotrione | | Definition date: | 2017-12-07 | | Last modified: | 2020-06-17 | | Release date: | 2019-01-16 | | Identifier: | 2-[(4-methylsulfonyl-2-nitro-phenyl)-oxidanyl-methylidene]cyclohexane-1,3-dione |
|
 | | 946 | | Name: | 4-[(1~{R})-2-(naphthalen-2-ylmethylamino)-1-oxidanyl-ethyl]benzene-1,2-diol | | Formula: | C19 H19 N O3 | | SMILES: | O[CH](CNCc1ccc2ccccc2c1)c3ccc(O)c(O)c3 | | InChi: | InChI=1S/C19H19NO3/c21-17-8-7-16(10-18(17)22)19(23)12-20-11-13-5-6-14-3-1-2-4-15(14)9-13/h1-10,19-23H,11-12H2/t19-/m0/s1 | | Synonyms: | (1-(3,4-dihydroxyphenyl)-2-((naphthalen-1-ylmethyl)amino)ethan-1-one | | Definition date: | 2017-12-13 | | Last modified: | 2020-06-17 | | Release date: | 2018-11-21 | | Identifier: | 4-[(1~{R})-2-(naphthalen-2-ylmethylamino)-1-oxidanyl-ethyl]benzene-1,2-diol |
|
 | | 94R | | Name: | (3beta,14beta,17alpha)-ergosta-5,24(28)-dien-3-ol | | Formula: | C28 H46 O | | SMILES: | C1C2(C(CC(O)C1)=CCC4C2CCC3(C)C(CCC34)C(CC/C(C(C)C)=C)C)C | | InChi: | InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18,20,22-26,29H,3,7-8,10-17H2,1-2,4-6H3/t20-,22+,23+,24-,25+,26+,27+,28-/m1/s1 | | Synonyms: | 24-methylenecholesterol | | Definition date: | 2017-12-18 | | Last modified: | 2020-06-17 | | Release date: | 2018-08-08 | | Identifier: | (3beta,14beta,17alpha)-ergosta-5,24(28)-dien-3-ol |
|
 | | 95H | | Name: | ~{N}-[(1~{R},2~{R})-1-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-methylsulfanyl-3,4,5-tris(oxidanyl)oxan-2-yl]-2-oxidanyl-propy
l]-4-nitro-benzamide | | Formula: | C16 H22 N2 O8 S | | SMILES: | CS[CH]1O[CH]([CH](O)[CH](O)[CH]1O)[CH](NC(=O)c2ccc(cc2)[N+]([O-])=O)[CH](C)O | | InChi: | InChI=1S/C16H22N2O8S/c1-7(19)10(14-12(21)11(20)13(22)16(26-14)27-2)17-15(23)8-3-5-9(6-4-8)18(24)25/h3-7,10-14,16,19-22H,1-2H3,(H,17,23)/t7-,10-,11+,12-,13-,14-,16-/m1/s1 | | Synonyms: | RB02 | | Definition date: | 2017-04-23 | | Last modified: | 2020-06-17 | | Release date: | 2017-08-09 | | Identifier: | ~{N}-[(1~{R},2~{R})-1-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-methylsulfanyl-3,4,5-tris(oxidanyl)oxan-2-yl]-2-oxidanyl-propyl]-4-nitro-benzamide |
|
 | | 96N | | Name: | 4-ethanoyl-3-ethyl-5-methyl-~{N}-(naphthalen-1-ylmethyl)-1~{H}-pyrrole-2-carboxamide | | Formula: | C21 H22 N2 O2 | | SMILES: | CCc1c([nH]c(C)c1C(C)=O)C(=O)NCc2cccc3ccccc23 | | InChi: | InChI=1S/C21H22N2O2/c1-4-17-19(14(3)24)13(2)23-20(17)21(25)22-12-16-10-7-9-15-8-5-6-11-18(15)16/h5-11,23H,4,12H2,1-3H3,(H,22,25) | | Synonyms: | XDM4 | | Definition date: | 2017-04-25 | | Last modified: | 2020-06-17 | | Release date: | 2017-08-16 | | Identifier: | 4-ethanoyl-3-ethyl-5-methyl-~{N}-(naphthalen-1-ylmethyl)-1~{H}-pyrrole-2-carboxamide |
|
 | | C09 | | Name: | 2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-4-amine | | Formula: | C13 H14 N4 O | | SMILES: | n3c1ccccc1c2c(nc(n2)COCC)c3N | | InChi: | InChI=1S/C13H14N4O/c1-2-18-7-10-16-11-8-5-3-4-6-9(8)15-13(14)12(11)17-10/h3-6H,2,7H2,1H3,(H2,14,15)(H,16,17) | | Synonyms: | CL097 | | Definition date: | 2013-01-22 | | Last modified: | 2020-06-17 | | Release date: | 2013-04-03 | | Identifier: | 2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-4-amine |
|
 | | C0L | | Name: | methyl
[(1E,5R)-5-{(3E)-3-[(2E,4E,8R,9E,12E)-1,8-dihydroxy-2,5,9-trimethyltetradeca-2,4,9,12-tetraen-1-ylidene]-2,4-dioxo-3,4-d
ihydro-2H-pyran-6-yl}hex-1-en-1-yl]carbamate | | Formula: | C30 H41 N O7 | | SMILES: | CC=[C@H]CC=C(/C)C(O)CCC(=[C@H]C=C(/C)C(O)=C1C(=O)C=C(OC1=O)C(CC[C@H]=CNC(=O)OC)C)C | | InChi: | InChI=1S/C30H41NO7/c1-7-8-9-12-21(3)24(32)17-15-20(2)14-16-23(5)28(34)27-25(33)19-26(38-29(27)35)22(4)13-10-11-18-31-30(36)37-6/h7-8,11-12,14,16,18-19,22,24,32,34H,9-10,13,15,17H2,1-6H3,(H,31,36)/b8-7+,18-11+,20-14+,21-12+,23-16+,28-27?/t22-,24-/m1/s1 | | Synonyms: | Corallopyronin A | | Definition date: | 2018-08-14 | | Last modified: | 2020-06-17 | | Release date: | 2018-11-21 | | Identifier: | methyl [(1E,5R)-5-{(3E)-3-[(2E,4E,8R,9E,12E)-1,8-dihydroxy-2,5,9-trimethyltetradeca-2,4,9,12-tetraen-1-ylidene]-2,4-dioxo-3,4-dihydro-2H-pyran-6-yl}hex-1-en-1-yl]carbamate |
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 | | C1A | | Name: | (2,5-dimethylbenzene-1,4-diyl)dimethanediyl bis(N-carbamimidoylcarbamimidothioate) | | Formula: | C14 H22 N8 S2 | | SMILES: | S(C(=[N@H])NC(=[N@H])N)Cc1cc(c(cc1C)CSC(=[N@H])NC(=[N@H])N)C | | InChi: | InChI=1S/C14H22N8S2/c1-7-3-10(6-24-14(20)22-12(17)18)8(2)4-9(7)5-23-13(19)21-11(15)16/h3-4H,5-6H2,1-2H3,(H5,15,16,19,21)(H5,17,18,20,22) | | Synonyms: | 4-({[(E)-{[(E)-AMINO(IMINO)METHYL]AMINO}(IMINO)METHYL]SULFANYL}METHYL)-2,5-DIMETHYLBENZYL
N-[(E)-AMINO(IMINO)METHYL]IMIDOTHIOCARBAMATE | | Definition date: | 2005-08-31 | | Last modified: | 2020-06-17 | | Identifier: | (2,5-dimethylbenzene-1,4-diyl)dimethanediyl bis(N-carbamimidoylcarbamimidothioate) |
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 | | C1C | | Name: | 1,1'-binaphthalene-2,2'-dicarboxylic acid | | Formula: | C22 H14 O4 | | SMILES: | O=C(O)c4ccc1c(cccc1)c4c2c3c(ccc2C(=O)O)cccc3 | | InChi: | InChI=1S/C22H14O4/c23-21(24)17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22(25)26/h1-12H,(H,23,24)(H,25,26) | | Synonyms: | 1-(2-carboxynaphth-1yl)-2-naphthoic acid | | Definition date: | 2010-04-19 | | Last modified: | 2020-06-17 | | Identifier: | 1,1'-binaphthalene-2,2'-dicarboxylic acid |
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 | | C1M | | Name: | 1-(4-CHLOROPHENYL)-1H-TETRAZOLE | | Formula: | C7 H5 Cl N4 | | SMILES: | Clc1ccc(cc1)n2nnnc2 | | InChi: | InChI=1S/C7H5ClN4/c8-6-1-3-7(4-2-6)12-5-9-10-11-12/h1-5H | | Synonyms: | INHIBITOR OF THROMBIN | | Definition date: | 2005-12-08 | | Last modified: | 2020-06-17 | | Identifier: | 1-(4-chlorophenyl)-1H-tetrazole |
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 | | C1Q | | Name: | N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-10-phenyldecanamide | | Formula: | C40 H71 N O9 | | SMILES: | O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCCCc2ccccc2 | | InChi: | InChI=1S/C40H71NO9/c1-2-3-4-5-6-7-8-9-10-13-16-22-27-33(43)36(45)32(30-49-40-39(48)38(47)37(46)34(29-42)50-40)41-35(44)28-23-17-14-11-12-15-19-24-31-25-20-18-21-26-31/h18,20-21,25-26,32-34,36-40,42-43,45-48H,2-17,19,22-24,27-30H2,1H3,(H,41,44)/t32-,33+,34+,36-,37-,38-,39+,40-/m0/s1 | | Synonyms: | (2S,3S,4R)-N-PHENYLDECANOYL-1-[(ALPHA-D-GALACTOPYRANOSYL)OXY]-2-AMINO-OCTADECANE-3,4-DIOL | | Definition date: | 2009-04-07 | | Last modified: | 2020-06-17 | | Identifier: | N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-10-phenyldecanamide |
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 | | C2A | | Name: | 1-(3-CHLOROPHENYL)METHANAMINE | | Formula: | C7 H8 Cl N | | SMILES: | Clc1cc(ccc1)CN | | InChi: | InChI=1S/C7H8ClN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2 | | Synonyms: | INHIBITOR OF THROMBIN | | Definition date: | 2005-12-08 | | Last modified: | 2020-06-17 | | Identifier: | 1-(3-chlorophenyl)methanamine |
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