![2WV 2WV](https://data.pdbj.org/pdbjplus/data/cc/svg/2WV.svg) | 2WV | Name: | (3S,6R)-6-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol | Formula: | C30 H54 O3 | SMILES: | C[CH](CC[CH](O)CCO)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](CC[C]4(C)[CH]3CC[C]12C)CC(C)(C)O | InChi: | InChI=1S/C30H54O3/c1-20(6-8-23(32)14-17-31)25-10-11-26-24-9-7-22-18-21(19-28(2,3)33)12-15-29(22,4)27(24)13-16-30(25,26)5/h20-27,31-33H,6-19H2,1-5H3/t20-,21-,22-,23+,24+,25-,26+,27+,29+,30-/m1/s1 | Synonyms: | CAR-S | Definition date: | 2021-06-23 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | (3~{S},6~{R})-6-[(3~{R},5~{R},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol |
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![R8N R8N](https://data.pdbj.org/pdbjplus/data/cc/svg/R8N.svg) | R8N | Name: | 2,3,5,6-tetrakis(fluoranyl)-4-(2-hydroxyethylsulfanyl)-~{N}-methyl-benzenesulfonamide | Formula: | C9 H9 F4 N O3 S2 | SMILES: | CN[S](=O)(=O)c1c(F)c(F)c(SCCO)c(F)c1F | InChi: | InChI=1S/C9H9F4NO3S2/c1-14-19(16,17)9-6(12)4(10)8(18-3-2-15)5(11)7(9)13/h14-15H,2-3H2,1H3 | Definition date: | 2020-09-18 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | 2,3,5,6-tetrakis(fluoranyl)-4-(2-hydroxyethylsulfanyl)-~{N}-methyl-benzenesulfonamide |
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![R8Q R8Q](https://data.pdbj.org/pdbjplus/data/cc/svg/R8Q.svg) | R8Q | Name: | 2,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-4-propylsulfanyl-benzenesulfonamide | Formula: | C10 H11 F4 N O2 S2 | SMILES: | CCCSc1c(F)c(F)c(c(F)c1F)[S](=O)(=O)NC | InChi: | InChI=1S/C10H11F4NO2S2/c1-3-4-18-9-5(11)7(13)10(8(14)6(9)12)19(16,17)15-2/h15H,3-4H2,1-2H3 | Definition date: | 2020-09-18 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | 2,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-4-propylsulfanyl-benzenesulfonamide |
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![RAK RAK](https://data.pdbj.org/pdbjplus/data/cc/svg/RAK.svg) | RAK | Name: | 4-(2-azanylethylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-benzenesulfonamide | Formula: | C9 H10 F4 N2 O2 S2 | SMILES: | CN[S](=O)(=O)c1c(F)c(F)c(SCCN)c(F)c1F | InChi: | InChI=1S/C9H10F4N2O2S2/c1-15-19(16,17)9-6(12)4(10)8(18-3-2-14)5(11)7(9)13/h15H,2-3,14H2,1H3 | Definition date: | 2020-09-23 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | 4-(2-azanylethylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-benzenesulfonamide |
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![TO7 TO7](https://data.pdbj.org/pdbjplus/data/cc/svg/TO7.svg) | TO7 | Name: | (4-amino-2-{[(1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone | Formula: | C17 H18 N4 O3 S | SMILES: | c4ccc(c(C(c1sc(nc1N)NC3C2CCC(C2)C3)=O)c4)[N+]([O-])=O | InChi: | InChI=1S/C17H18N4O3S/c18-16-15(14(22)11-3-1-2-4-13(11)21(23)24)25-17(20-16)19-12-8-9-5-6-10(12)7-9/h1-4,9-10,12H,5-8,18H2,(H,19,20)/t9-,10+,12+/m1/s1 | Synonyms: | MC180295 | Definition date: | 2020-03-25 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | (4-amino-2-{[(1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone |
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![TOJ TOJ](https://data.pdbj.org/pdbjplus/data/cc/svg/TOJ.svg) | TOJ | Name: | (4-amino-2-{[(1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone | Formula: | C17 H18 N4 O3 S | SMILES: | c1cc(c(cc1)[N+](=O)[O-])C(=O)c2c(nc(s2)NC4C3CC(CC3)C4)N | InChi: | InChI=1S/C17H18N4O3S/c18-16-15(14(22)11-3-1-2-4-13(11)21(23)24)25-17(20-16)19-12-8-9-5-6-10(12)7-9/h1-4,9-10,12H,5-8,18H2,(H,19,20)/t9-,10+,12+/m0/s1 | Definition date: | 2020-03-25 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | (4-amino-2-{[(1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone |
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![STQ STQ](https://data.pdbj.org/pdbjplus/data/cc/svg/STQ.svg) | STQ | Name: | (1~{S})-1,2,3,4-tetrahydronaphthalen-1-amine | Formula: | C10 H13 N | SMILES: | N[CH]1CCCc2ccccc12 | InChi: | InChI=1S/C10H13N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7,11H2/t10-/m0/s1 | Definition date: | 2020-09-01 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | (1~{S})-1,2,3,4-tetrahydronaphthalen-1-amine |
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![T0H T0H](https://data.pdbj.org/pdbjplus/data/cc/svg/T0H.svg) | T0H | Name: | (1R,3S,Z)-5-(2-((3aS,7aS,E)-1-(6-hydroxy-6-methylhept-1-en-1-ylidene)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol | Formula: | C27 H40 O3 | SMILES: | CC(C)(O)CCC[CH]=[C]=[C]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3=C | InChi: | InChI=1S/C27H40O3/c1-19-21(17-23(28)18-25(19)29)12-11-20-9-8-16-27(4)22(13-14-24(20)27)10-6-5-7-15-26(2,3)30/h6,11-12,23-25,28-30H,1,5,7-9,13-18H2,2-4H3/b20-11+,21-12-/t10?,23-,24+,25+,27-/m1/s1 | Synonyms: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(3~{a}~{S},7~{a}~{S})-7~{a}-methyl-1-(6-methyl-6-oxidanyl-hept-1-enylidene)-2,3,3~{a},5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol | Definition date: | 2020-12-09 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(3~{a}~{S},7~{a}~{S})-7~{a}-methyl-1-(6-methyl-6-oxidanyl-hept-1-enylidene)-2,3,3~{a},5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol |
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![UDV UDV](https://data.pdbj.org/pdbjplus/data/cc/svg/UDV.svg) | UDV | Name: | 6'-(4-chlorophenyl)-1'-methyl-8'-(1-methyl-1H-pyrazol-4-yl)spiro[cyclopropane-1,4'-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine] | Formula: | C23 H19 Cl N6 | SMILES: | c4(C)nnc5C1(CC1)N=C(c2c(ccc(c2)c3cn(C)nc3)n45)c6ccc(cc6)Cl | InChi: | InChI=1S/C23H19ClN6/c1-14-27-28-22-23(9-10-23)26-21(15-3-6-18(24)7-4-15)19-11-16(5-8-20(19)30(14)22)17-12-25-29(2)13-17/h3-8,11-13H,9-10H2,1-2H3 | Definition date: | 2020-05-08 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | 6'-(4-chlorophenyl)-1'-methyl-8'-(1-methyl-1H-pyrazol-4-yl)spiro[cyclopropane-1,4'-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine] |
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![UE2 UE2](https://data.pdbj.org/pdbjplus/data/cc/svg/UE2.svg) | UE2 | Name: | (R)-N-((3-hydroxy-1-(6-(methylamino)pyrimidin-4-yl)piperidin-3-yl)methyl)-4-((4-methylpiperidin-1-yl)methyl)benzamide | Formula: | C26 H38 N6 O2 | SMILES: | CNc1cc(ncn1)N2CCC[C](O)(CNC(=O)c3ccc(CN4CCC(C)(C)CC4)cc3)C2 | InChi: | InChI=1S/C26H38N6O2/c1-25(2)10-13-31(14-11-25)16-20-5-7-21(8-6-20)24(33)28-17-26(34)9-4-12-32(18-26)23-15-22(27-3)29-19-30-23/h5-8,15,19,34H,4,9-14,16-18H2,1-3H3,(H,28,33)(H,27,29,30)/t26-/m1/s1 | Synonyms: | 4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]benzamide | Definition date: | 2021-02-11 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | 4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]benzamide |
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![UF8 UF8](https://data.pdbj.org/pdbjplus/data/cc/svg/UF8.svg) | UF8 | Name: | 2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one | Formula: | C21 H17 N O3 S2 | SMILES: | O=C1C=C(OC(=C1)c2cccc3Sc4ccccc4Sc23)N5CCOCC5 | InChi: | InChI=1S/C21H17NO3S2/c23-14-12-16(25-20(13-14)22-8-10-24-11-9-22)15-4-3-7-19-21(15)27-18-6-2-1-5-17(18)26-19/h1-7,12-13H,8-11H2 | Synonyms: | 2-morpholino-6-(thianthren-1-yl)-4H-pyran-4-one | Definition date: | 2021-02-12 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | 2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one |
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![UGK UGK](https://data.pdbj.org/pdbjplus/data/cc/svg/UGK.svg) | UGK | Name: | 8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoranyl-5-methoxy-pyridin-4-yl)-7-methoxy-3-methyl-imidazo[4,5-c]quinolin-2-one | Formula: | C23 H21 F N6 O3 | SMILES: | COc1cncc(F)c1N2C(=O)N(C)c3cnc4cc(OC)c(cc4c23)c5cn(C)nc5C | InChi: | InChI=1S/C23H21FN6O3/c1-12-15(11-28(2)27-12)13-6-14-17(7-19(13)32-4)26-9-18-21(14)30(23(31)29(18)3)22-16(24)8-25-10-20(22)33-5/h6-11H,1-5H3 | Definition date: | 2021-02-16 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | 8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoranyl-5-methoxy-pyridin-4-yl)-7-methoxy-3-methyl-imidazo[4,5-c]quinolin-2-one |
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![W8M W8M](https://data.pdbj.org/pdbjplus/data/cc/svg/W8M.svg) | W8M | Name: | 2-[4,5-bis(2-chlorophenyl)-1H-imidazol-2-yl]-6-(prop-2-en-1-yl)phenyl methoxyacetate | Formula: | C27 H22 Cl2 N2 O3 | SMILES: | c4(c1c(cccc1)Cl)c(c2c(cccc2)Cl)nc(c3cccc(c3OC(COC)=O)CC=C)n4 | InChi: | InChI=1S/C27H22Cl2N2O3/c1-3-9-17-10-8-13-20(26(17)34-23(32)16-33-2)27-30-24(18-11-4-6-14-21(18)28)25(31-27)19-12-5-7-15-22(19)29/h3-8,10-15H,1,9,16H2,2H3,(H,30,31) | Definition date: | 2020-09-29 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | 2-[4,5-bis(2-chlorophenyl)-1H-imidazol-2-yl]-6-(prop-2-en-1-yl)phenyl methoxyacetate |
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![UXE UXE](https://data.pdbj.org/pdbjplus/data/cc/svg/UXE.svg) | UXE | Name: | 4-[[[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]amino]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-4-ol | Formula: | C30 H41 N7 O | SMILES: | CC1(C)CCN(CC1)Cc2ccc(NCC3(O)CCN(CC3)c4cc(NCc5ccccc5)ncn4)cn2 | InChi: | InChI=1S/C30H41N7O/c1-29(2)10-14-36(15-11-29)21-26-9-8-25(20-31-26)33-22-30(38)12-16-37(17-13-30)28-18-27(34-23-35-28)32-19-24-6-4-3-5-7-24/h3-9,18,20,23,33,38H,10-17,19,21-22H2,1-2H3,(H,32,34,35) | Definition date: | 2021-03-25 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | 4-[[[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]amino]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-4-ol |
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![UXK UXK](https://data.pdbj.org/pdbjplus/data/cc/svg/UXK.svg) | UXK | Name: | 6-[4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-N-(phenylmethyl)pyrimidin-4-amine | Formula: | C32 H43 N7 O | SMILES: | CC1(C)CCN(CC1)Cc2ccc(cn2)N3CCOC4(CCN(CC4)c5cc(NCc6ccccc6)ncn5)C3 | InChi: | InChI=1S/C32H43N7O/c1-31(2)10-14-37(15-11-31)23-27-8-9-28(22-33-27)39-18-19-40-32(24-39)12-16-38(17-13-32)30-20-29(35-25-36-30)34-21-26-6-4-3-5-7-26/h3-9,20,22,25H,10-19,21,23-24H2,1-2H3,(H,34,35,36) | Definition date: | 2021-03-25 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | 6-[4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-~{N}-(phenylmethyl)pyrimidin-4-amine |
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![UXW UXW](https://data.pdbj.org/pdbjplus/data/cc/svg/UXW.svg) | UXW | Name: | 4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one | Formula: | C32 H42 N8 O | SMILES: | CC1(C)CCN(CC1)Cc2ccc(cn2)N3CC(=O)NC4(CCN(CC4)c5cc(NCc6ccccc6)ncn5)C3 | InChi: | InChI=1S/C32H42N8O/c1-31(2)10-14-38(15-11-31)21-26-8-9-27(20-33-26)40-22-30(41)37-32(23-40)12-16-39(17-13-32)29-18-28(35-24-36-29)34-19-25-6-4-3-5-7-25/h3-9,18,20,24H,10-17,19,21-23H2,1-2H3,(H,37,41)(H,34,35,36) | Definition date: | 2021-03-26 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | 4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one |
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![UYN UYN](https://data.pdbj.org/pdbjplus/data/cc/svg/UYN.svg) | UYN | Name: | [[(2E)-2-[1-[3-[(E)-N-[[azaniumylidene(azanyl)methyl]amino]-C-methyl-carbonimidoyl]-5-azanyl-phenyl]ethylidene]hydrazinyl]-azanyl-methylidene]azanium | Formula: | C12 H21 N9 | SMILES: | CC(=NNC(N)=[NH2+])c1cc(N)cc(c1)C(C)=NNC(N)=[NH2+] | InChi: | InChI=1S/C12H19N9/c1-6(18-20-11(14)15)8-3-9(5-10(13)4-8)7(2)19-21-12(16)17/h3-5H,13H2,1-2H3,(H4,14,15,20)(H4,16,17,21)/p+2/b18-6+,19-7+ | Synonyms: | BEV241 | Definition date: | 2021-03-30 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | [[(2~{E})-2-[1-[3-[(~{E})-~{N}-[[azaniumylidene(azanyl)methyl]amino]-~{C}-methyl-carbonimidoyl]-5-azanyl-phenyl]ethylidene]hydrazinyl]-azanyl-methylidene]azanium |
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![UYQ UYQ](https://data.pdbj.org/pdbjplus/data/cc/svg/UYQ.svg) | UYQ | Name: | [[(2E)-2-[[4-[(E)-[[azaniumylidene(azanyl)methyl]hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]-azanyl-methylidene]azanium | Formula: | C10 H16 N8 | SMILES: | NC(=[NH2+])NN=Cc1ccc(cc1)C=NNC(N)=[NH2+] | InChi: | InChI=1S/C10H14N8/c11-9(12)17-15-5-7-1-2-8(4-3-7)6-16-18-10(13)14/h1-6H,(H4,11,12,17)(H4,13,14,18)/p+2/b15-5+,16-6+ | Definition date: | 2021-03-30 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | [[(2~{E})-2-[[4-[(~{E})-[[azaniumylidene(azanyl)methyl]hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]-azanyl-methylidene]azanium |
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![UYT UYT](https://data.pdbj.org/pdbjplus/data/cc/svg/UYT.svg) | UYT | Name: | [azanyl-[(2E)-2-(1-phenylethylidene)hydrazinyl]methylidene]azanium | Formula: | C9 H13 N4 | SMILES: | CC(=NNC(N)=[NH2+])c1ccccc1 | InChi: | InChI=1S/C9H12N4/c1-7(12-13-9(10)11)8-5-3-2-4-6-8/h2-6H,1H3,(H4,10,11,13)/p+1/b12-7+ | Synonyms: | Diaminomethylidene-[(Z)-1-phenylethylideneamino]azanium | Definition date: | 2021-03-30 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | [azanyl-[(2~{E})-2-(1-phenylethylidene)hydrazinyl]methylidene]azanium |
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![UYW UYW](https://data.pdbj.org/pdbjplus/data/cc/svg/UYW.svg) | UYW | Name: | [azanyl-[(2E)-2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]methylidene]azanium | Formula: | C15 H16 Cl N4 O | SMILES: | NC(=[NH2+])NN=Cc1ccccc1OCc2ccc(Cl)cc2 | InChi: | InChI=1S/C15H15ClN4O/c16-13-7-5-11(6-8-13)10-21-14-4-2-1-3-12(14)9-19-20-15(17)18/h1-9H,10H2,(H4,17,18,20)/p+1/b19-9+ | Definition date: | 2021-03-30 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | [azanyl-[(2~{E})-2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]methylidene]azanium |
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![UZ5 UZ5](https://data.pdbj.org/pdbjplus/data/cc/svg/UZ5.svg) | UZ5 | Name: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2,5-bis(fluoranyl)phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one | Formula: | C27 H37 F2 N7 O | SMILES: | CNc1cc(ncn1)N2CCC3(CC2)CN(CC(=O)N3)c4cc(F)c(CN5CCC(C)(C)CC5)cc4F | InChi: | InChI=1S/C27H37F2N7O/c1-26(2)4-8-34(9-5-26)15-19-12-21(29)22(13-20(19)28)36-16-25(37)33-27(17-36)6-10-35(11-7-27)24-14-23(30-3)31-18-32-24/h12-14,18H,4-11,15-17H2,1-3H3,(H,33,37)(H,30,31,32) | Definition date: | 2021-03-30 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2,5-bis(fluoranyl)phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one |
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![UZE UZE](https://data.pdbj.org/pdbjplus/data/cc/svg/UZE.svg) | UZE | Name: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one | Formula: | C27 H38 F N7 O | SMILES: | CNc1cc(ncn1)N2CCC3(CC2)CN(CC(=O)N3)c4ccc(CN5CCC(C)(C)CC5)cc4F | InChi: | InChI=1S/C27H38FN7O/c1-26(2)6-10-33(11-7-26)16-20-4-5-22(21(28)14-20)35-17-25(36)32-27(18-35)8-12-34(13-9-27)24-15-23(29-3)30-19-31-24/h4-5,14-15,19H,6-13,16-18H2,1-3H3,(H,32,36)(H,29,30,31) | Definition date: | 2021-03-30 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one |
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![UZH UZH](https://data.pdbj.org/pdbjplus/data/cc/svg/UZH.svg) | UZH | Name: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-3-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one | Formula: | C27 H38 F N7 O | SMILES: | CNc1cc(ncn1)N2CCC3(CC2)CN(CC(=O)N3)c4ccc(CN5CCC(C)(C)CC5)c(F)c4 | InChi: | InChI=1S/C27H38FN7O/c1-26(2)6-10-33(11-7-26)16-20-4-5-21(14-22(20)28)35-17-25(36)32-27(18-35)8-12-34(13-9-27)24-15-23(29-3)30-19-31-24/h4-5,14-15,19H,6-13,16-18H2,1-3H3,(H,32,36)(H,29,30,31) | Definition date: | 2021-03-30 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-3-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one |
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![PA1 PA1](https://data.pdbj.org/pdbjplus/data/cc/svg/PA1.svg) | PA1 | Name: | 2-amino-2-deoxy-alpha-D-glucopyranose | Formula: | C6 H13 N O5 | SMILES: | OC1C(O)C(OC(O)C1N)CO | InChi: | InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6+/m1/s1 | Synonyms: | alpah-D-glucosamine | Definition date: | 1999-07-08 | Last modified: | 2021-08-24 | Identifier: | 2-amino-2-deoxy-alpha-D-glucopyranose |
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![A4W A4W](https://data.pdbj.org/pdbjplus/data/cc/svg/A4W.svg) | A4W | Name: | ~{N}-(3-chloranyl-2-fluoranyl-phenyl)-3-sulfanyl-propanamide | Formula: | C9 H9 Cl F N O S | SMILES: | Fc1c(Cl)cccc1NC(=O)CCS | InChi: | InChI=1S/C9H9ClFNOS/c10-6-2-1-3-7(9(6)11)12-8(13)4-5-14/h1-3,14H,4-5H2,(H,12,13) | Definition date: | 2017-08-16 | Last modified: | 2021-08-23 | Release date: | 2017-11-01 | Identifier: | ~{N}-(3-chloranyl-2-fluoranyl-phenyl)-3-sulfanyl-propanamide |
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