![634 634](https://data.pdbj.org/pdbjplus/data/cc/svg/634.svg) | 634 | Name: | N-[3-({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)phenyl]propanamide | Formula: | C19 H19 N7 O2 | SMILES: | c23c(nc(Nc1cn(C)nc1)nc2ncc3)Oc4cc(NC(CC)=O)ccc4 | InChi: | InChI=1S/C19H19N7O2/c1-3-16(27)22-12-5-4-6-14(9-12)28-18-15-7-8-20-17(15)24-19(25-18)23-13-10-21-26(2)11-13/h4-11H,3H2,1-2H3,(H,22,27)(H2,20,23,24,25) | Synonyms: | Bound form of N-[3-({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)phenyl]prop-2-enamide | Definition date: | 2016-01-18 | Last modified: | 2020-06-17 | Release date: | 2016-02-03 | Identifier: | N-[3-({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)phenyl]propanamide |
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![63A 63A](https://data.pdbj.org/pdbjplus/data/cc/svg/63A.svg) | 63A | Name: | 1-[(3R,4R)-3-[({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-(trifluoromethyl)pyrr
olidin-1-yl]propan-1-one | Formula: | C19 H22 F3 N7 O2 | SMILES: | N1(C(=O)CC)CC(C(F)(F)F)C(C1)COc2c4c(nc(n2)Nc3cn(nc3)C)ncc4 | InChi: | InChI=1S/C19H22F3N7O2/c1-3-15(30)29-7-11(14(9-29)19(20,21)22)10-31-17-13-4-5-23-16(13)26-18(27-17)25-12-6-24-28(2)8-12/h4-6,8,11,14H,3,7,9-10H2,1-2H3,(H2,23,25,26,27)/t11-,14+/m1/s1 | Synonyms: | Bound form of
1-[(3R,4R)-3-[({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-(trifluoromethyl)pyrro
lidin-1-yl]prop-2-en-1-one | Definition date: | 2016-01-18 | Last modified: | 2020-06-17 | Release date: | 2016-02-03 | Identifier: | 1-[(3R,4R)-3-[({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one |
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![PQ2 PQ2](https://data.pdbj.org/pdbjplus/data/cc/svg/PQ2.svg) | PQ2 | Name: | 3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,1
2,18-tetrayl]tetrapropanoic acid | Formula: | C42 H48 N4 O16 | SMILES: | N3=C4C=C5C(C(C(=Cc1nc(c(CCC(O)=O)c1CC(O)=O)Cc2c(c(c(n2)C=C3C(C4(CC(=O)O)C)CCC(O)=O)CC(O)=O)CCC(O)=O)N5)(C)CC(O)=O)CCC(O)=O | InChi: | InChI=1S/C42H48N4O16/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29/h14-16,23-24,43-44,46H,3-13,17-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/b29-14-,30-16-,31-15-/t23?,24?,41-,42-/m0/s1 | Synonyms: | Precorrin-2 | Definition date: | 2019-06-20 | Last modified: | 2020-06-17 | Release date: | 2020-03-04 | Identifier: | 3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid |
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![63L 63L](https://data.pdbj.org/pdbjplus/data/cc/svg/63L.svg) | 63L | Name: | 5-amino-3-(methylsulfanyl)-1H-pyrazole-1,4-dicarboxamide | Formula: | C6 H9 N5 O2 S | SMILES: | c1(c(n(C(N)=O)nc1SC)N)C(=O)N | InChi: | InChI=1S/C6H9N5O2S/c1-14-5-2(4(8)12)3(7)11(10-5)6(9)13/h7H2,1H3,(H2,8,12)(H2,9,13) | Synonyms: | 5-Amino-3-methylsulfanyl-pyrazole-1,4-dicarboxylicacid diamide | Definition date: | 2016-01-20 | Last modified: | 2020-06-17 | Release date: | 2016-06-08 | Identifier: | 5-amino-3-(methylsulfanyl)-1H-pyrazole-1,4-dicarboxamide |
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![LMJ LMJ](https://data.pdbj.org/pdbjplus/data/cc/svg/LMJ.svg) | LMJ | Name: | (5aS,12aS,13aS)-9-bromo-8-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7
,6-b]carbazol-14-one | Formula: | C21 H23 Br Cl N3 O | SMILES: | C5(C)(C1CC32C(NC1(CN2CCC3)Cc6c4c(cc(c(c4)Cl)Br)nc56)=O)C | InChi: | InChI=1S/C21H23BrClN3O/c1-19(2)16-9-21-4-3-5-26(21)10-20(16,25-18(21)27)8-12-11-6-14(23)13(22)7-15(11)24-17(12)19/h6-7,16,24H,3-5,8-10H2,1-2H3,(H,25,27)/t16-,20+,21-/m0/s1 | Synonyms: | isomalbrancheamide D | Definition date: | 2019-03-04 | Last modified: | 2020-06-17 | Release date: | 2019-08-07 | Identifier: | (5aS,12aS,13aS)-9-bromo-8-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one |
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![LMN LMN](https://data.pdbj.org/pdbjplus/data/cc/svg/LMN.svg) | LMN | Name: | Lauryl Maltose Neopentyl Glycol | Formula: | C47 H88 O22 | SMILES: | O(CC(CCCCCCCCCC)(CCCCCCCCCC)COC2OC(CO)C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)C4OC(C(OC3OC(CO)C(O)C(O)C3O)C(O)C4O)CO | InChi: | InChI=1S/C47H88O22/c1-3-5-7-9-11-13-15-17-19-47(20-18-16-14-12-10-8-6-4-2,25-62-43-39(60)35(56)41(29(23-50)66-43)68-45-37(58)33(54)31(52)27(21-48)64-45)26-63-44-40(61)36(57)42(30(24-51)67-44)69-46-38(59)34(55)32(53)28(22-49)65-46/h27-46,48-61H,3-26H2,1-2H3/t27-,28-,29-,30-,31-,32-,33+,34+,35-,36-,37-,38-,39-,40+,41-,42-,43-,44-,45-,46-/m0/s1 | Synonyms: | 2,2-didecylpropane-1,3-bis-b-D-maltopyranoside | Definition date: | 2012-09-12 | Last modified: | 2020-06-17 | Release date: | 2012-11-30 | Identifier: | 2-decyl-2-({[4-O-(alpha-L-glucopyranosyl)-beta-L-mannopyranosyl]oxy}methyl)dodecyl 4-O-alpha-L-glucopyranosyl-beta-L-glucopyranoside |
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![LMP LMP](https://data.pdbj.org/pdbjplus/data/cc/svg/LMP.svg) | LMP | Name: | (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-(dimethylcarbamoy
l)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid | Formula: | C17 H27 N3 O6 S | SMILES: | C[CH](O)[CH]([CH]1N=C([CH](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/h7-12,14,18,21H,5-6H2,1-4H3,(H,23,24)(H,25,26)/t7-,8-,9+,10+,11-,12-,14+/m1/s1 | Synonyms: | Hydrolyzed Meropenem | Definition date: | 2016-03-18 | Last modified: | 2020-06-17 | Release date: | 2016-05-11 | Identifier: | (2~{S},3~{R},4~{S})-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-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid |
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![643 643](https://data.pdbj.org/pdbjplus/data/cc/svg/643.svg) | 643 | Name: | 6-(4-{[3-(3,5-dichloropyridin-4-yl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-2-methylphenyl)-1-methyl-1H-indole-3-carbox
ylic acid | Formula: | C29 H25 Cl2 N3 O4 | SMILES: | O=C(O)c2c1ccc(cc1n(c2)C)c5c(cc(OCc4c(onc4c3c(Cl)cncc3Cl)C(C)C)cc5)C | InChi: | InChI=1S/C29H25Cl2N3O4/c1-15(2)28-22(27(33-38-28)26-23(30)11-32-12-24(26)31)14-37-18-6-8-19(16(3)9-18)17-5-7-20-21(29(35)36)13-34(4)25(20)10-17/h5-13,15H,14H2,1-4H3,(H,35,36) | Synonyms: | 6-{4-[3-(3,5-Dichloro-pyridin-4-yl)-5-isopropyl-isoxazol-4-ylmethoxy]-2-methyl-phenyl}-1-methyl-1H-indole-3-carboxylic
acid | Definition date: | 2009-01-23 | Last modified: | 2020-06-17 | Identifier: | 6-(4-{[3-(3,5-dichloropyridin-4-yl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-2-methylphenyl)-1-methyl-1H-indole-3-carboxylic acid |
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![LN0 LN0](https://data.pdbj.org/pdbjplus/data/cc/svg/LN0.svg) | LN0 | Name: | methyl 6,8-dideoxy-6-{[(4R)-1-methyl-4-propyl-L-prolyl]amino}-1-thio-D-glycero-alpha-D-galacto-octopyranosid-7-ulose | Formula: | C18 H32 N2 O6 S | SMILES: | O=C(C)C(NC(=O)C1N(C)CC(CCC)C1)C2OC(SC)C(O)C(O)C2O | InChi: | InChI=1S/C18H32N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h10-16,18,22-24H,5-8H2,1-4H3,(H,19,25)/t10-,11+,12-,13+,14-,15-,16-,18-/m1/s1 | Synonyms: | lincomycin, oxidized form | Definition date: | 2012-03-29 | Last modified: | 2020-06-17 | Identifier: | methyl 6,8-dideoxy-6-{[(4R)-1-methyl-4-propyl-L-prolyl]amino}-1-thio-D-glycero-alpha-D-galacto-octopyranosid-7-ulose |
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![LNC LNC](https://data.pdbj.org/pdbjplus/data/cc/svg/LNC.svg) | LNC | Name: | (3S)-5-(3-CARBOXY-3-HYDROXYPROPYL) NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Formula: | C25 H33 N7 O17 P2 | SMILES: | NC(=O)c1cc(CC[CH](O)C(O)=O)c[n+](c1)[CH]2O[CH](CO[P](O)(=O)O[P]([O-])(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O | InChi: | InChI=1S/C25H33N7O17P2/c26-20-15-22(29-8-28-20)32(9-30-15)24-19(37)17(35)14(48-24)7-46-51(43,44)49-50(41,42)45-6-13-16(34)18(36)23(47-13)31-4-10(1-2-12(33)25(39)40)3-11(5-31)21(27)38/h3-5,8-9,12-14,16-19,23-24,33-37H,1-2,6-7H2,(H6-,26,27,28,29,38,39,40,41,42,43,44)/t12-,13+,14+,16+,17+,18+,19+,23+,24+/m0/s1 | Synonyms: | S-LAC-NAD+ | Definition date: | 2003-04-25 | Last modified: | 2020-06-17 | Identifier: | [[(2R,3S,4R,5R)-5-[3-aminocarbonyl-5-[(3S)-3,4-dihydroxy-4-oxo-butyl]pyridin-1-ium-1-yl]-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphate |
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![653 653](https://data.pdbj.org/pdbjplus/data/cc/svg/653.svg) | 653 | Name: | 5-(2-AMINOETHYL)-3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE | Formula: | C22 H22 N5 O | SMILES: | [O-]c4c(c1ccccc1)cc(cc4c3nc2cc(ccc2n3)C(=[NH2+])N)CC[NH3+] | InChi: | InChI=1S/C22H21N5O/c23-9-8-13-10-16(14-4-2-1-3-5-14)20(28)17(11-13)22-26-18-7-6-15(21(24)25)12-19(18)27-22/h1-7,10-12,28H,8-9,23H2,(H3,24,25)(H,26,27)/p+1 | Synonyms: | CRA_23653 | Definition date: | 2003-03-14 | Last modified: | 2020-06-17 | Identifier: | 3-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-5-(2-ammonioethyl)biphenyl-2-olate |
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![657 657](https://data.pdbj.org/pdbjplus/data/cc/svg/657.svg) | 657 | Name: | 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine | Formula: | C8 H5 F3 N2 O S | SMILES: | c12cc(OC(F)(F)F)ccc1nc(N)s2 | InChi: | InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13) | Synonyms: | Riluzole | Definition date: | 2016-01-26 | Last modified: | 2020-06-17 | Release date: | 2018-03-07 | Identifier: | 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine |
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![65A 65A](https://data.pdbj.org/pdbjplus/data/cc/svg/65A.svg) | 65A | Name: | 4-(2-methoxyphenyl)-3,7,7-trimethyl-1,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one | Formula: | C20 H21 N3 O2 | SMILES: | c3(C)c2c(c1ccccc1OC)c4C(=O)CC(C)(Cc4nc2nn3)C | InChi: | InChI=1S/C20H21N3O2/c1-11-16-17(12-7-5-6-8-15(12)25-4)18-13(21-19(16)23-22-11)9-20(2,3)10-14(18)24/h5-8H,9-10H2,1-4H3,(H,21,22,23) | Synonyms: | BRD3937 | Definition date: | 2016-01-26 | Last modified: | 2020-06-17 | Release date: | 2016-05-25 | Identifier: | 4-(2-methoxyphenyl)-3,7,7-trimethyl-1,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one |
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![LO4 LO4](https://data.pdbj.org/pdbjplus/data/cc/svg/LO4.svg) | LO4 | Name: | Ciglitazone | Formula: | C18 H23 N O3 S | SMILES: | c2(OCC1(C)CCCCC1)ccc(cc2)CC=3C(NC(=O)S=3)=O | InChi: | InChI=1S/C18H23NO3S/c1-18(9-3-2-4-10-18)12-22-14-7-5-13(6-8-14)11-15-16(20)19-17(21)23-15/h5-8,23H,2-4,9-12H2,1H3,(H,19,20,21) | Synonyms: | 5-({4-[(1-methylcyclohexyl)methoxy]phenyl}methyl)-2H-1lambda~4~,3-thiazole-2,4(3H)-dione | Definition date: | 2019-03-06 | Last modified: | 2020-06-17 | Release date: | 2019-11-06 | Identifier: | 5-({4-[(1-methylcyclohexyl)methoxy]phenyl}methyl)-2H-1lambda~4~,3-thiazole-2,4(3H)-dione |
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![LOR LOR](https://data.pdbj.org/pdbjplus/data/cc/svg/LOR.svg) | LOR | Name: | LORACABEF (Open form) | Formula: | C16 H18 Cl N3 O4 | SMILES: | O=C(O)C2=NC(C(NC(=O)C(c1ccccc1)N)C=O)CCC2Cl | InChi: | InChI=1S/C16H18ClN3O4/c17-10-6-7-11(19-14(10)16(23)24)12(8-21)20-15(22)13(18)9-4-2-1-3-5-9/h1-5,8,10-13H,6-7,18H2,(H,20,22)(H,23,24)/t10-,11+,12+,13+/m0/s1 | Synonyms: | (3S,6R)-6-[(1S)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-3-chloro-3,4,5,6-tetrahydropyridine-2-carboxylic
acid | Definition date: | 2000-08-11 | Last modified: | 2020-06-17 | Identifier: | (3S,6R)-6-[(1S)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-3-chloro-3,4,5,6-tetrahydropyridine-2-carboxylic acid |
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![66R 66R](https://data.pdbj.org/pdbjplus/data/cc/svg/66R.svg) | 66R | Name: | trans-Ned 19 | Formula: | C30 H31 F N4 O3 | SMILES: | c1cccc(c1N2CCN(CC2)Cc3c(OC)ccc(c3)C5c4nc6c(c4CC(N5)C(O)=O)cccc6)F | InChi: | InChI=1S/C30H31FN4O3/c1-38-27-11-10-19(16-20(27)18-34-12-14-35(15-13-34)26-9-5-3-7-23(26)31)28-29-22(17-25(33-28)30(36)37)21-6-2-4-8-24(21)32-29/h2-11,16,25,28,32-33H,12-15,17-18H2,1H3,(H,36,37)/t25-,28+/m0/s1 | Synonyms: | (1R,3S)-1-(3-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxy
lic acid | Definition date: | 2016-02-05 | Last modified: | 2020-06-17 | Release date: | 2016-03-09 | Identifier: | (1R,3S)-1-(3-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid |
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![LPR LPR](https://data.pdbj.org/pdbjplus/data/cc/svg/LPR.svg) | LPR | Name: | [N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-L-LYSYL-L-PROLINE | Formula: | C21 H31 N3 O5 | SMILES: | O=C(O)C2N(C(=O)C(NC(C(=O)O)CCc1ccccc1)CCCCN)CCC2 | InChi: | InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1 | Synonyms: | LISINOPRIL | Definition date: | 2002-11-25 | Last modified: | 2020-06-17 | Identifier: | N~2~-[(1S)-1-carboxy-3-phenylpropyl]-L-lysyl-L-proline |
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![678 678](https://data.pdbj.org/pdbjplus/data/cc/svg/678.svg) | 678 | Name: | (3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-5-BROMO-4-OXIDOPHENYL)ACETATE | Formula: | C17 H13 Br N3 O3 | SMILES: | [O-]C(=O)Cc3cc(c2cc1cc(ccc1n2)C(=[NH2+])N)c([O-])c(Br)c3 | InChi: | InChI=1S/C17H14BrN3O3/c18-12-4-8(5-15(22)23)3-11(16(12)24)14-7-10-6-9(17(19)20)1-2-13(10)21-14/h1-4,6-7,21,24H,5H2,(H3,19,20)(H,22,23)/p-1 | Synonyms: | CRA_9678 | Definition date: | 2003-03-14 | Last modified: | 2020-06-17 | Identifier: | (3-{5-[amino(iminio)methyl]-1H-indol-2-yl}-5-bromo-4-oxidophenyl)acetate |
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![684 684](https://data.pdbj.org/pdbjplus/data/cc/svg/684.svg) | 684 | Name: | 4-({5-[(2,4-diaminopteridin-6-yl)methyl]-5H-dibenzo[b,f]azepin-2-yl}oxy)butanoic acid | Formula: | C25 H23 N7 O3 | SMILES: | O=C(O)CCCOc3cc2C=Cc1c(cccc1)N(c2cc3)Cc4nc5c(nc4)nc(nc5N)N | InChi: | InChI=1S/C25H23N7O3/c26-23-22-24(31-25(27)30-23)28-13-17(29-22)14-32-19-5-2-1-4-15(19)7-8-16-12-18(9-10-20(16)32)35-11-3-6-21(33)34/h1-2,4-5,7-10,12-13H,3,6,11,14H2,(H,33,34)(H4,26,27,28,30,31) | Synonyms: | PT684 | Definition date: | 2011-06-02 | Last modified: | 2020-06-17 | Identifier: | 4-({5-[(2,4-diaminopteridin-6-yl)methyl]-5H-dibenzo[b,f]azepin-2-yl}oxy)butanoic acid |
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![685 685](https://data.pdbj.org/pdbjplus/data/cc/svg/685.svg) | 685 | Name: | 2-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-methylethyl]-4-methyl-1,3-thiazole-5-carboxamide | Formula: | C20 H23 N5 O2 S | SMILES: | O=C(c1sc(nc1C)c2nc(ncc2)Nc3cc(cc(c3)C)C)NC(C)CO | InChi: | InChI=1S/C20H23N5O2S/c1-11-7-12(2)9-15(8-11)24-20-21-6-5-16(25-20)19-23-14(4)17(28-19)18(27)22-13(3)10-26/h5-9,13,26H,10H2,1-4H3,(H,22,27)(H,21,24,25)/t13-/m0/s1 | Synonyms: | 2-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-N-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide | Definition date: | 2008-10-07 | Last modified: | 2020-06-17 | Identifier: | 2-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-methylethyl]-4-methyl-1,3-thiazole-5-carboxamide |
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![693 693](https://data.pdbj.org/pdbjplus/data/cc/svg/693.svg) | 693 | Name: | 2-(5-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-2'-FLUORO-6-OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE | Formula: | C24 H17 F N4 O5 | SMILES: | [O-]C(=O)CC(C([O-])=O)c4cc(c2nc1cc(ccc1n2)C(=[NH2+])N)c([O-])c(c3ccccc3F)c4 | InChi: | InChI=1S/C24H19FN4O5/c25-17-4-2-1-3-13(17)15-7-12(14(24(33)34)10-20(30)31)8-16(21(15)32)23-28-18-6-5-11(22(26)27)9-19(18)29-23/h1-9,14,32H,10H2,(H3,26,27)(H,28,29)(H,30,31)(H,33,34)/p-2/t14-/m1/s1 | Synonyms: | CRA_17693 | Definition date: | 2003-03-14 | Last modified: | 2020-06-17 | Identifier: | (2R)-2-(5-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-2'-fluoro-6-oxidobiphenyl-3-yl)butanedioate |
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![LSA LSA](https://data.pdbj.org/pdbjplus/data/cc/svg/LSA.svg) | LSA | Name: | 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE | Formula: | C7 H5 N O3 S | SMILES: | O=C2c1ccccc1S(=O)(=O)N2 | InChi: | InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9) | Synonyms: | SACCHARIN | Definition date: | 2007-06-05 | Last modified: | 2020-06-17 | Identifier: | 1,2-benzisothiazol-3(2H)-one 1,1-dioxide |
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![LSM LSM](https://data.pdbj.org/pdbjplus/data/cc/svg/LSM.svg) | LSM | Name: | dodecyl 4-O-alpha-D-glucopyranosyl-1-seleno-beta-D-glucopyranoside | Formula: | C24 H46 O10 Se | SMILES: | O(C1C(OC([Se]CCCCCCCCCCCC)C(O)C1O)CO)C2OC(C(O)C(O)C2O)CO | InChi: | InChI=1S/C24H46O10Se/c1-2-3-4-5-6-7-8-9-10-11-12-35-24-21(31)19(29)22(16(14-26)33-24)34-23-20(30)18(28)17(27)15(13-25)32-23/h15-31H,2-14H2,1H3/t15-,16-,17-,18+,19-,20-,21-,22-,23-,24+/m1/s1 | Synonyms: | DODECYL-BETA-D-SELENOMALTOSIDE | Definition date: | 2011-08-09 | Last modified: | 2020-06-17 | Identifier: | dodecyl 4-O-alpha-D-glucopyranosyl-1-seleno-beta-D-glucopyranoside |
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![6AN 6AN](https://data.pdbj.org/pdbjplus/data/cc/svg/6AN.svg) | 6AN | Name: | 6-[(1E)-CYCLOHEXA-2,4-DIEN-1-YLIDENEAMINO]NAPHTHALENE-2-SULFONATE | Formula: | C16 H13 N O3 S | SMILES: | O=S(=O)(O)c3ccc2cc(N=C1/C=CCC=C1)ccc2c3 | InChi: | InChI=1S/C16H13NO3S/c18-21(19,20)16-9-7-12-10-15(8-6-13(12)11-16)17-14-4-2-1-3-5-14/h2-11H,1H2,(H,18,19,20) | Synonyms: | 2-ANILINONAPHTHALENE-6-SULFONIC ACID | Definition date: | 2009-07-27 | Last modified: | 2020-06-17 | Identifier: | 6-(cyclohexa-2,5-dien-1-ylideneamino)naphthalene-2-sulfonic acid |
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![6AZ 6AZ](https://data.pdbj.org/pdbjplus/data/cc/svg/6AZ.svg) | 6AZ | Name: | 6-azidouridine 5'-(dihydrogen phosphate) | Formula: | C9 H12 N5 O9 P | SMILES: | [N-]=[N+]=NC=1N(C(=O)NC(=O)C=1)C2OC(C(O)C2O)COP(=O)(O)O | InChi: | InChI=1S/C9H12N5O9P/c10-13-12-4-1-5(15)11-9(18)14(4)8-7(17)6(16)3(23-8)2-22-24(19,20)21/h1,3,6-8,16-17H,2H2,(H,11,15,18)(H2,19,20,21)/t3-,6-,7-,8-/m1/s1 | Synonyms: | 6-AZIDO-UMP | Definition date: | 2009-02-16 | Last modified: | 2020-06-17 | Identifier: | 6-azidouridine 5'-(dihydrogen phosphate) |
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