![QL8 QL8](https://data.pdbj.org/pdbjplus/data/cc/svg/QL8.svg) | QL8 | Name: | 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]-5-[3-[4-[3-[2-[2-[2-[2-[2-[3-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid | Formula: | C68 H80 N8 O14 S3 | SMILES: | Cc1ncsc1c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(=O)[CH](NC(=O)CCOCCOCCOCCOCCOCCOCC#Cc4ccc(OCCCc5sc(nc5C(O)=O)N6CCc7cccc(C(=O)Nc8sc9ccccc9n8)c7C6)cc4)C(C)(C)C)cc2 | InChi: | InChI=1S/C68H80N8O14S3/c1-45-60(91-44-70-45)49-20-16-47(17-21-49)41-69-63(80)55-40-50(77)42-76(55)64(81)61(68(2,3)4)72-58(78)25-29-85-31-33-87-35-37-89-39-38-88-36-34-86-32-30-84-27-8-10-46-18-22-51(23-19-46)90-28-9-15-57-59(65(82)83)73-67(93-57)75-26-24-48-11-7-12-52(53(48)43-75)62(79)74-66-71-54-13-5-6-14-56(54)92-66/h5-7,11-14,16-23,44,50,55,61,77H,9,15,24-43H2,1-4H3,(H,69,80)(H,72,78)(H,82,83)(H,71,74,79)/t50-,55+,61-/m1/s1 | Definition date: | 2020-06-24 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]-5-[3-[4-[3-[2-[2-[2-[2-[2-[3-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid |
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![Q64 Q64](https://data.pdbj.org/pdbjplus/data/cc/svg/Q64.svg) | Q64 | Name: | (2Z)-2-benzylidene-3-oxo-N-(4-sulfamoylphenyl)butanamide | Formula: | C17 H16 N2 O4 S | SMILES: | c1ccc(cc1)[C@H]=C(C(=O)Nc2ccc(cc2)S(N)(=O)=O)C(C)=O | InChi: | InChI=1S/C17H16N2O4S/c1-12(20)16(11-13-5-3-2-4-6-13)17(21)19-14-7-9-15(10-8-14)24(18,22)23/h2-11H,1H3,(H,19,21)(H2,18,22,23)/b16-11- | Definition date: | 2019-09-24 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | (2Z)-2-benzylidene-3-oxo-N-(4-sulfamoylphenyl)butanamide |
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![Q6A Q6A](https://data.pdbj.org/pdbjplus/data/cc/svg/Q6A.svg) | Q6A | Name: | (2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide | Formula: | C18 H18 N2 O5 S | SMILES: | c1cc(ccc1[C@H]=C(C(=O)Nc2ccc(cc2)S(N)(=O)=O)C(C)=O)OC | InChi: | InChI=1S/C18H18N2O5S/c1-12(21)17(11-13-3-7-15(25-2)8-4-13)18(22)20-14-5-9-16(10-6-14)26(19,23)24/h3-11H,1-2H3,(H,20,22)(H2,19,23,24)/b17-11- | Definition date: | 2019-09-24 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | (2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide |
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![Q6D Q6D](https://data.pdbj.org/pdbjplus/data/cc/svg/Q6D.svg) | Q6D | Name: | (2Z)-3-oxo-N-(4-sulfamoylphenyl)-2-[(thiophen-2-yl)methylidene]butanamide | Formula: | C15 H14 N2 O4 S2 | SMILES: | c1csc(c1)[C@H]=C(C(=O)Nc2ccc(cc2)S(N)(=O)=O)C(C)=O | InChi: | InChI=1S/C15H14N2O4S2/c1-10(18)14(9-12-3-2-8-22-12)15(19)17-11-4-6-13(7-5-11)23(16,20)21/h2-9H,1H3,(H,17,19)(H2,16,20,21)/b14-9- | Definition date: | 2019-09-24 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | (2Z)-3-oxo-N-(4-sulfamoylphenyl)-2-[(thiophen-2-yl)methylidene]butanamide |
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![TU7 TU7](https://data.pdbj.org/pdbjplus/data/cc/svg/TU7.svg) | TU7 | Name: | (2,4-dichlorophenyl)[(2S)-2-phenylmorpholin-4-yl]methanone | Formula: | C17 H15 Cl2 N O2 | SMILES: | C(c1ccc(cc1Cl)Cl)(N3CC(c2ccccc2)OCC3)=O | InChi: | InChI=1S/C17H15Cl2NO2/c18-13-6-7-14(15(19)10-13)17(21)20-8-9-22-16(11-20)12-4-2-1-3-5-12/h1-7,10,16H,8-9,11H2/t16-/m1/s1 | Definition date: | 2020-03-31 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | (2,4-dichlorophenyl)[(2S)-2-phenylmorpholin-4-yl]methanone |
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![B7F B7F](https://data.pdbj.org/pdbjplus/data/cc/svg/B7F.svg) | B7F | Name: | 2,2,3,3,4,4,4-heptafluorobutan-1-ol | Formula: | C4 H3 F7 O | SMILES: | FC(F)(F)C(F)(F)C(F)(F)CO | InChi: | InChI=1S/C4H3F7O/c5-2(6,1-12)3(7,8)4(9,10)11/h12H,1H2 | Definition date: | 2020-07-20 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | 2,2,3,3,4,4,4-heptafluorobutan-1-ol |
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![DW3 DW3](https://data.pdbj.org/pdbjplus/data/cc/svg/DW3.svg) | DW3 | Name: | 2-oxidanylethanal | Formula: | C2 H4 O2 | SMILES: | OCC=O | InChi: | InChI=1S/C2H4O2/c3-1-2-4/h1,4H,2H2 | Definition date: | 2019-09-12 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | 2-oxidanylethanal |
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![EOU EOU](https://data.pdbj.org/pdbjplus/data/cc/svg/EOU.svg) | EOU | Name: | dimethyl (~{E})-but-2-enedioate | Formula: | C6 H8 O4 | SMILES: | COC(=O)C=CC(=O)OC | InChi: | InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+ | Definition date: | 2020-01-17 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | dimethyl (~{E})-but-2-enedioate |
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![N14 N14](https://data.pdbj.org/pdbjplus/data/cc/svg/N14.svg) | N14 | Name: | 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine | Formula: | C23 H29 F N8 | SMILES: | C5CCn1c(c(cn1)c2c(cnc(n2)Nc3ccc(cn3)N4CCN(CC4)C)F)C(C5)C | InChi: | InChI=1S/C23H29FN8/c1-16-5-3-4-8-32-22(16)18(14-27-32)21-19(24)15-26-23(29-21)28-20-7-6-17(13-25-20)31-11-9-30(2)10-12-31/h6-7,13-16H,3-5,8-12H2,1-2H3,(H,25,26,28,29)/t16-/m0/s1 | Definition date: | 2019-04-29 | Last modified: | 2020-07-24 | Release date: | 2020-07-29 | Identifier: | 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine |
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![N1A N1A](https://data.pdbj.org/pdbjplus/data/cc/svg/N1A.svg) | N1A | Name: | 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine | Formula: | C23 H29 F N8 | SMILES: | C5Cn1c(c(cn1)c2c(F)cnc(n2)Nc3ccc(cn3)N4CCN(CC4)C)C(C)CC5 | InChi: | InChI=1S/C23H29FN8/c1-16-5-3-4-8-32-22(16)18(14-27-32)21-19(24)15-26-23(29-21)28-20-7-6-17(13-25-20)31-11-9-30(2)10-12-31/h6-7,13-16H,3-5,8-12H2,1-2H3,(H,25,26,28,29)/t16-/m1/s1 | Definition date: | 2019-04-29 | Last modified: | 2020-07-24 | Release date: | 2020-07-29 | Identifier: | 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine |
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![N1J N1J](https://data.pdbj.org/pdbjplus/data/cc/svg/N1J.svg) | N1J | Name: | N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pyridin-2-yl]-5-fluoro-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine | Formula: | C25 H31 F N8 | SMILES: | C6C1(CN(C1)c5ccc(Nc4ncc(F)c(c3c2n(CCCCC2C)nc3)n4)nc5)CN6CC | InChi: | InChI=1S/C25H31FN8/c1-3-32-13-25(14-32)15-33(16-25)18-7-8-21(27-10-18)30-24-28-12-20(26)22(31-24)19-11-29-34-9-5-4-6-17(2)23(19)34/h7-8,10-12,17H,3-6,9,13-16H2,1-2H3,(H,27,28,30,31)/t17-/m1/s1 | Definition date: | 2019-04-29 | Last modified: | 2020-07-24 | Release date: | 2020-07-29 | Identifier: | N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pyridin-2-yl]-5-fluoro-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine |
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![UGF UGF](https://data.pdbj.org/pdbjplus/data/cc/svg/UGF.svg) | UGF | Name: | (2~{R},3~{S},4~{R},5~{R},6~{R})-6-[[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidany
l)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3-fluoranyl-4,5-bis(oxidanyl)oxane-2-carboxylic acid | Formula: | C15 H21 F N2 O17 P2 | SMILES: | O[CH]1[CH](O)[CH](O[CH]([CH]1F)C(O)=O)O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O | InChi: | InChI=1S/C15H21FN2O17P2/c16-6-8(21)10(23)14(33-11(6)13(24)25)34-37(29,30)35-36(27,28)31-3-4-7(20)9(22)12(32-4)18-2-1-5(19)17-15(18)26/h1-2,4,6-12,14,20-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,17,19,26)/t4-,6+,7-,8+,9-,10-,11+,12-,14-/m1/s1 | Synonyms: | UDP-4-Deoxy-4-Fluoro-Glucuronic acid | Definition date: | 2020-06-01 | Last modified: | 2020-07-24 | Release date: | 2020-07-29 | Identifier: | (2~{R},3~{S},4~{R},5~{R},6~{R})-6-[[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3-fluoranyl-4,5-bis(oxidanyl)oxane-2-carboxylic acid |
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![U2V U2V](https://data.pdbj.org/pdbjplus/data/cc/svg/U2V.svg) | U2V | Name: | 5-({[4-({4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)phenyl]carbamoyl}amino)-N-hydroxypentanamide | Formula: | C23 H27 Cl F3 N5 O5 S | SMILES: | c1cc(NC(NCCCCC(NO)=O)=O)ccc1S(N3CCN(c2cc(cc(c2)C(F)(F)F)Cl)CC3)(=O)=O | InChi: | InChI=1S/C23H27ClF3N5O5S/c24-17-13-16(23(25,26)27)14-19(15-17)31-9-11-32(12-10-31)38(36,37)20-6-4-18(5-7-20)29-22(34)28-8-2-1-3-21(33)30-35/h4-7,13-15,35H,1-3,8-12H2,(H,30,33)(H2,28,29,34) | Definition date: | 2020-04-10 | Last modified: | 2020-07-24 | Release date: | 2020-07-29 | Identifier: | 5-({[4-({4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)phenyl]carbamoyl}amino)-N-hydroxypentanamide |
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![O1B O1B](https://data.pdbj.org/pdbjplus/data/cc/svg/O1B.svg) | O1B | Name: | (2R,3R,4S)-5-((2-aminoethyl)amino)-2,3,4-trihydroxy-5-oxopentyl dihydrogen phosphate | Formula: | C7 H17 N2 O8 P | SMILES: | NCCNC(=O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O | InChi: | InChI=1S/C7H17N2O8P/c8-1-2-9-7(13)6(12)5(11)4(10)3-17-18(14,15)16/h4-6,10-12H,1-3,8H2,(H,9,13)(H2,14,15,16)/t4-,5-,6+/m1/s1 | Definition date: | 2020-01-20 | Last modified: | 2020-07-24 | Release date: | 2020-07-29 | Identifier: | [(2~{R},3~{R},4~{S})-5-(2-azanylethylamino)-2,3,4-tris(oxidanyl)-5-oxidanylidene-pentyl] dihydrogen phosphate |
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![QXM QXM](https://data.pdbj.org/pdbjplus/data/cc/svg/QXM.svg) | QXM | Name: | (5R,6Z)-5-(hydroperoxy-kappaO)-5-(hydroxy-kappaO)-6-iminocyclohexa-1,3-diene-1-carboxylato(2-)iron | Formula: | C7 H4 Fe N O5 | SMILES: | C12(/C(C(C(=O)[O-])=CC=C1)=N)O[Fe+2]OO2 | InChi: | InChI=1S/C7H6NO5.Fe/c8-5-4(6(9)10)2-1-3-7(5,11)13-12 | Definition date: | 2020-01-13 | Last modified: | 2020-07-24 | Release date: | 2020-07-29 | Identifier: | (5~{R})-6-azanylidene-1,2,4-trioxa-3$l^{2}-ferraspiro[4.5]deca-7,9-diene-7-carboxylic acid |
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![V1D V1D](https://data.pdbj.org/pdbjplus/data/cc/svg/V1D.svg) | V1D | Name: | N-[(1S)-1-[4-(2-fluorophenyl)-1H-imidazol-2-yl]-7,7-dihydroxy-7-(1,2-oxazol-3-yl)heptyl]-1-methylazetidine-3-carboxamide | Formula: | C24 H30 F N5 O4 | SMILES: | Fc1ccccc1c2cnc(n2)C(NC(C3CN(C)C3)=O)CCCCCC(c4ccon4)(O)O | InChi: | InChI=1S/C24H30FN5O4/c1-30-14-16(15-30)23(31)28-19(9-3-2-6-11-24(32,33)21-10-12-34-29-21)22-26-13-20(27-22)17-7-4-5-8-18(17)25/h4-5,7-8,10,12-13,16,19,32-33H,2-3,6,9,11,14-15H2,1H3,(H,26,27)(H,28,31)/t19-/m0/s1 | Definition date: | 2020-06-12 | Last modified: | 2020-07-24 | Release date: | 2020-07-29 | Identifier: | N-[(1S)-1-[4-(2-fluorophenyl)-1H-imidazol-2-yl]-7,7-dihydroxy-7-(1,2-oxazol-3-yl)heptyl]-1-methylazetidine-3-carboxamide |
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![MKB MKB](https://data.pdbj.org/pdbjplus/data/cc/svg/MKB.svg) | MKB | Name: | 6-[4-(1~{H}-indol-5-ylcarbonyl)piperazin-1-yl]sulfonyl-3~{H}-1,3-benzoxazol-2-one | Formula: | C20 H18 N4 O5 S | SMILES: | O=C1Nc2ccc(cc2O1)[S](=O)(=O)N3CCN(CC3)C(=O)c4ccc5[nH]ccc5c4 | InChi: | InChI=1S/C20H18N4O5S/c25-19(14-1-3-16-13(11-14)5-6-21-16)23-7-9-24(10-8-23)30(27,28)15-2-4-17-18(12-15)29-20(26)22-17/h1-6,11-12,21H,7-10H2,(H,22,26) | Definition date: | 2019-10-16 | Last modified: | 2020-07-24 | Release date: | 2020-07-29 | Identifier: | 6-[4-(1~{H}-indol-5-ylcarbonyl)piperazin-1-yl]sulfonyl-3~{H}-1,3-benzoxazol-2-one |
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![QAN QAN](https://data.pdbj.org/pdbjplus/data/cc/svg/QAN.svg) | QAN | Name: | (3~{R},4~{R})-~{N}-cyclohexyl-4-[[5-(furan-2-yl)-3-methyl-2-oxidanylidene-1~{H}-1,7-naphthyridin-8-yl]amino]-1-methyl-piperidine-3-carboxamide | Formula: | C26 H33 N5 O3 | SMILES: | CN1CC[CH](Nc2ncc(c3occc3)c4C=C(C)C(=O)Nc24)[CH](C1)C(=O)NC5CCCCC5 | InChi: | InChI=1S/C26H33N5O3/c1-16-13-18-19(22-9-6-12-34-22)14-27-24(23(18)30-25(16)32)29-21-10-11-31(2)15-20(21)26(33)28-17-7-4-3-5-8-17/h6,9,12-14,17,20-21H,3-5,7-8,10-11,15H2,1-2H3,(H,27,29)(H,28,33)(H,30,32)/t20-,21-/m1/s1 | Definition date: | 2020-06-01 | Last modified: | 2020-07-24 | Release date: | 2020-07-29 | Identifier: | (3~{R},4~{R})-~{N}-cyclohexyl-4-[[5-(furan-2-yl)-3-methyl-2-oxidanylidene-1~{H}-1,7-naphthyridin-8-yl]amino]-1-methyl-piperidine-3-carboxamide |
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![QAZ QAZ](https://data.pdbj.org/pdbjplus/data/cc/svg/QAZ.svg) | QAZ | Name: | (3R,4R)-N-cyclohexyl-4-((3-methyl-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl)amino)piperidine-3-carboxamide | Formula: | C21 H29 N5 O2 | SMILES: | CC1=Cc2ccnc(N[CH]3CCNC[CH]3C(=O)NC4CCCCC4)c2NC1=O | InChi: | InChI=1S/C21H29N5O2/c1-13-11-14-7-10-23-19(18(14)26-20(13)27)25-17-8-9-22-12-16(17)21(28)24-15-5-3-2-4-6-15/h7,10-11,15-17,22H,2-6,8-9,12H2,1H3,(H,23,25)(H,24,28)(H,26,27)/t16-,17-/m1/s1 | Synonyms: | (3~{R},4~{R})-~{N}-cyclohexyl-4-[(3-methyl-2-oxidanylidene-1~{H}-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide | Definition date: | 2020-06-01 | Last modified: | 2020-07-24 | Release date: | 2020-07-29 | Identifier: | (3~{R},4~{R})-~{N}-cyclohexyl-4-[(3-methyl-2-oxidanylidene-1~{H}-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide |
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![QB8 QB8](https://data.pdbj.org/pdbjplus/data/cc/svg/QB8.svg) | QB8 | Name: | ~{N}-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]ethanamide | Formula: | C20 H17 N7 O | SMILES: | CC(=O)Nc1ccc2ccn(c3cc(NC4CC4)n5ncc(C#N)c5n3)c2c1 | InChi: | InChI=1S/C20H17N7O/c1-12(28)23-16-3-2-13-6-7-26(17(13)8-16)18-9-19(24-15-4-5-15)27-20(25-18)14(10-21)11-22-27/h2-3,6-9,11,15,24H,4-5H2,1H3,(H,23,28) | Definition date: | 2020-06-02 | Last modified: | 2020-07-24 | Release date: | 2020-07-29 | Identifier: | ~{N}-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]ethanamide |
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![QBE QBE](https://data.pdbj.org/pdbjplus/data/cc/svg/QBE.svg) | QBE | Name: | ~{N}-[5-[[3-cyano-7-(cyclopropylamino)-3~{H}-pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]propanamide | Formula: | C20 H21 N7 O | SMILES: | CCC(=O)Nc1cc(Nc2cc(NC3CC3)n4ncc(C#N)c4n2)ccc1C | InChi: | InChI=1S/C20H21N7O/c1-3-19(28)25-16-8-15(5-4-12(16)2)23-17-9-18(24-14-6-7-14)27-20(26-17)13(10-21)11-22-27/h4-5,8-9,11,14,24H,3,6-7H2,1-2H3,(H,23,26)(H,25,28) | Definition date: | 2020-06-02 | Last modified: | 2020-07-24 | Release date: | 2020-07-29 | Identifier: | ~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]propanamide |
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![QDQ QDQ](https://data.pdbj.org/pdbjplus/data/cc/svg/QDQ.svg) | QDQ | Name: | ~{N}-[2-[[(2~{S})-3-[[(2~{S})-3-[[1-[2-[2-[2-[4-[4-[5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]ethoxy]ethyl]-1,2,3-triazol-4-yl]methylamino]-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-propyl]amino]-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-2,3-bis(oxidanyl)benzamide | Formula: | C54 H62 F N13 O18 | SMILES: | CC(=O)NCC1CN(C(=O)O1)c2ccc(N3CCN(CC3)C(=O)COCCOCCn4cc(CNC(=O)[CH](CNC(=O)[CH](CNC(=O)CNC(=O)c5cccc(O)c5O)NC(=O)c6cccc(O)c6O)NC(=O)c7cccc(O)c7O)nn4)c(F)c2 | InChi: | InChI=1S/C54H62FN13O18/c1-30(69)56-23-33-28-68(54(83)86-33)32-11-12-40(37(55)21-32)65-13-15-66(16-14-65)45(74)29-85-20-19-84-18-17-67-27-31(63-64-67)22-58-52(81)39(62-51(80)36-7-4-10-43(72)48(36)77)25-59-53(82)38(61-50(79)35-6-3-9-42(71)47(35)76)24-57-44(73)26-60-49(78)34-5-2-8-41(70)46(34)75/h2-12,21,27,33,38-39,70-72,75-77H,13-20,22-26,28-29H2,1H3,(H,56,69)(H,57,73)(H,58,81)(H,59,82)(H,60,78)(H,61,79)(H,62,80)/t33?,38-,39-/m0/s1 | Definition date: | 2020-06-08 | Last modified: | 2020-07-24 | Release date: | 2020-07-29 | Identifier: | ~{N}-[2-[[(2~{S})-3-[[(2~{S})-3-[[1-[2-[2-[2-[4-[4-[(5~{S})-5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]ethoxy]ethyl]-1,2,3-triazol-4-yl]methylamino]-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-propyl]amino]-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-2,3-bis(oxidanyl)benzamide |
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![QDW QDW](https://data.pdbj.org/pdbjplus/data/cc/svg/QDW.svg) | QDW | Name: | methoxymethyloxathiatetraazatetracyclodocosahexaenedione | Formula: | C18 H22 N4 O4 S | SMILES: | COc1ncc2cc1N[S](=O)(=O)CCN(C)Cc3ccc4OCCN2c4c3 | InChi: | InChI=1S/C18H22N4O4S/c1-21-6-8-27(23,24)20-15-10-14(11-19-18(15)25-2)22-5-7-26-17-4-3-13(12-21)9-16(17)22/h3-4,9-11,20H,5-8,12H2,1-2H3 | Definition date: | 2020-06-08 | Last modified: | 2020-07-24 | Release date: | 2020-07-29 |
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![P5Y P5Y](https://data.pdbj.org/pdbjplus/data/cc/svg/P5Y.svg) | P5Y | Name: | N-[(1-benzyl-1H-tetrazol-5-yl)methyl]-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)benzamide | Formula: | C25 H21 F3 N6 O3 | SMILES: | c1(nnnn1Cc2ccccc2)CN(C(=O)c3c(cccc3)C(F)(F)F)Cc4ccc(C(=O)NO)cc4 | InChi: | InChI=1S/C25H21F3N6O3/c26-25(27,28)21-9-5-4-8-20(21)24(36)33(14-18-10-12-19(13-11-18)23(35)30-37)16-22-29-31-32-34(22)15-17-6-2-1-3-7-17/h1-13,37H,14-16H2,(H,30,35) | Definition date: | 2019-07-31 | Last modified: | 2020-07-24 | Release date: | 2020-07-29 | Identifier: | N-[(1-benzyl-1H-tetrazol-5-yl)methyl]-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)benzamide |
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![P6D P6D](https://data.pdbj.org/pdbjplus/data/cc/svg/P6D.svg) | P6D | Name: | 2'-azidocytidine | Formula: | C9 H13 N6 O4 | SMILES: | NC1=NC(=O)N(C=C1)[CH]2O[CH](CO)[CH](O)[CH]2N=[N+]=[NH-] | InChi: | InChI=1S/C9H13N6O4/c10-5-1-2-15(9(18)12-5)8-6(13-14-11)7(17)4(3-16)19-8/h1-2,4,6-8,11,16-17H,3H2,(H2,10,12,18)/t4-,6-,7-,8-/m1/s1 | Definition date: | 2019-07-31 | Last modified: | 2020-07-24 | Release date: | 2020-07-29 |
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