![JPO JPO](https://data.pdbj.org/pdbjplus/data/cc/svg/JPO.svg) | JPO | Name: | [(2R,3S,4R,5R)-5-(6-azanyl-2-chloranyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl N-(2-azanylethanoyl)sulfamate | Formula: | C12 H16 Cl N7 O7 S | SMILES: | NCC(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)nc(Cl)nc23 | InChi: | InChI=1S/C12H16ClN7O7S/c13-12-17-9(15)6-10(18-12)20(3-16-6)11-8(23)7(22)4(27-11)2-26-28(24,25)19-5(21)1-14/h3-4,7-8,11,22-23H,1-2,14H2,(H,19,21)(H2,15,17,18)/t4-,7-,8-,11-/m1/s1 | Definition date: | 2022-08-25 | Last modified: | 2023-01-27 | Release date: | 2023-02-01 | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-chloranyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-(2-azanylethanoyl)sulfamate |
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![JS0 JS0](https://data.pdbj.org/pdbjplus/data/cc/svg/JS0.svg) | JS0 | Name: | [8-[3-(4-prop-2-ynylpiperazin-1-yl)propoxy]quinolin-2-yl]methanol | Formula: | C20 H25 N3 O2 | SMILES: | OCc1ccc2cccc(OCCCN3CCN(CC3)CC#C)c2n1 | InChi: | InChI=1S/C20H25N3O2/c1-2-9-22-11-13-23(14-12-22)10-4-15-25-19-6-3-5-17-7-8-18(16-24)21-20(17)19/h1,3,5-8,24H,4,9-16H2 | Synonyms: | 8-(3-(4-(prop-2-yn-1-yl)piperazin-1-yl)propoxy)quinoline-2-carbaldehyde | Definition date: | 2022-05-09 | Last modified: | 2023-01-27 | Release date: | 2023-02-01 | Identifier: | [8-[3-(4-prop-2-ynylpiperazin-1-yl)propoxy]quinolin-2-yl]methanol |
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![PXW PXW](https://data.pdbj.org/pdbjplus/data/cc/svg/PXW.svg) | PXW | Name: | (1R,2R,4S,7E)-7-[amino(sulfanyl)methylidene]-2-{[(1P)-3-chloro-3'-(1-cyanocyclopropyl)[1,1'-biphenyl]-4-carbonyl]amino}-7-azabicyclo[2.2.1]heptan-7-ium | Formula: | C24 H24 Cl N4 O S | SMILES: | S/C(N)=[N+]1C2CC(NC(=O)c3ccc(cc3Cl)c3cccc(c3)C3(C#N)CC3)C1CC2 | InChi: | InChI=1S/C24H23ClN4OS/c25-19-11-15(14-2-1-3-16(10-14)24(13-26)8-9-24)4-6-18(19)22(30)28-20-12-17-5-7-21(20)29(17)23(27)31/h1-4,6,10-11,17,20-21H,5,7-9,12H2,(H3,27,28,30,31)/p+1/t17-,20+,21+/m0/s1 | Definition date: | 2022-05-31 | Last modified: | 2023-01-27 | Release date: | 2023-02-01 | Identifier: | (1R,2R,4S,7E)-7-[amino(sulfanyl)methylidene]-2-{[(1P)-3-chloro-3'-(1-cyanocyclopropyl)[1,1'-biphenyl]-4-carbonyl]amino}-7-azabicyclo[2.2.1]heptan-7-ium |
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![Q2Q Q2Q](https://data.pdbj.org/pdbjplus/data/cc/svg/Q2Q.svg) | Q2Q | Name: | 3,5-diphenyl-2-(trifluoromethyl)-6~{H}-pyrazolo[1,5-a]pyrimidin-7-one | Formula: | C19 H12 F3 N3 O | SMILES: | FC(F)(F)c1nn2C(=O)CC(=Nc2c1c3ccccc3)c4ccccc4 | InChi: | InChI=1S/C19H12F3N3O/c20-19(21,22)17-16(13-9-5-2-6-10-13)18-23-14(11-15(26)25(18)24-17)12-7-3-1-4-8-12/h1-10H,11H2 | Definition date: | 2022-10-12 | Last modified: | 2023-01-27 | Release date: | 2023-02-01 | Identifier: | 3,5-diphenyl-2-(trifluoromethyl)-6~{H}-pyrazolo[1,5-a]pyrimidin-7-one |
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![Q7F Q7F](https://data.pdbj.org/pdbjplus/data/cc/svg/Q7F.svg) | Q7F | Name: | 6-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-~{N}4-phenyl-1,3,5-triazine-2,4-diamine | Formula: | C17 H20 N6 S | SMILES: | CN(Cc1sccc1C)Cc2nc(N)nc(Nc3ccccc3)n2 | InChi: | InChI=1S/C17H20N6S/c1-12-8-9-24-14(12)10-23(2)11-15-20-16(18)22-17(21-15)19-13-6-4-3-5-7-13/h3-9H,10-11H2,1-2H3,(H3,18,19,20,21,22) | Definition date: | 2022-10-14 | Last modified: | 2023-01-27 | Release date: | 2023-02-01 | Identifier: | 6-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-~{N}4-phenyl-1,3,5-triazine-2,4-diamine |
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![Q8N Q8N](https://data.pdbj.org/pdbjplus/data/cc/svg/Q8N.svg) | Q8N | Name: | 6-[(1-methylimidazol-2-yl)sulfanylmethyl]-~{N}4-(3-methylphenyl)-1,3,5-triazine-2,4-diamine | Formula: | C15 H17 N7 S | SMILES: | Cn1ccnc1SCc2nc(N)nc(Nc3cccc(C)c3)n2 | InChi: | InChI=1S/C15H17N7S/c1-10-4-3-5-11(8-10)18-14-20-12(19-13(16)21-14)9-23-15-17-6-7-22(15)2/h3-8H,9H2,1-2H3,(H3,16,18,19,20,21) | Definition date: | 2022-10-17 | Last modified: | 2023-01-27 | Release date: | 2023-02-01 | Identifier: | 6-[(1-methylimidazol-2-yl)sulfanylmethyl]-~{N}4-(3-methylphenyl)-1,3,5-triazine-2,4-diamine |
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![Q8U Q8U](https://data.pdbj.org/pdbjplus/data/cc/svg/Q8U.svg) | Q8U | Name: | 1-(3,4-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(11),2(7),3,5,12,14-hexaen-5-yl)-~{N}3-[(7~{S})-7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-3-yl]-1,2,4-triazole-3,5-diamine | Formula: | C30 H34 N8 | SMILES: | Nc1nc(Nc2ccc3CC[CH](CCc3c2)N4CCCC4)nn1c5cc6CCCc7ccccc7c6nn5 | InChi: | InChI=1S/C30H34N8/c31-29-33-30(32-24-13-10-20-11-14-25(15-12-22(20)18-24)37-16-3-4-17-37)36-38(29)27-19-23-8-5-7-21-6-1-2-9-26(21)28(23)35-34-27/h1-2,6,9-10,13,18-19,25H,3-5,7-8,11-12,14-17H2,(H3,31,32,33,36)/t25-/m0/s1 | Synonyms: | Bemcentinib | Definition date: | 2022-10-17 | Last modified: | 2023-01-27 | Release date: | 2023-02-01 | Identifier: | 1-(3,4-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(11),2(7),3,5,12,14-hexaen-5-yl)-~{N}3-[(7~{S})-7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-3-yl]-1,2,4-triazole-3,5-diamine |
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![Q9X Q9X](https://data.pdbj.org/pdbjplus/data/cc/svg/Q9X.svg) | Q9X | Name: | 6-[[(5-bromanylthiophen-2-yl)methyl-methyl-amino]methyl]-~{N}4-(4-methylphenyl)-1,3,5-triazine-2,4-diamine | Formula: | C17 H19 Br N6 S | SMILES: | CN(Cc1sc(Br)cc1)Cc2nc(N)nc(Nc3ccc(C)cc3)n2 | InChi: | InChI=1S/C17H19BrN6S/c1-11-3-5-12(6-4-11)20-17-22-15(21-16(19)23-17)10-24(2)9-13-7-8-14(18)25-13/h3-8H,9-10H2,1-2H3,(H3,19,20,21,22,23) | Definition date: | 2022-10-17 | Last modified: | 2023-01-27 | Release date: | 2023-02-01 | Identifier: | 6-[[(5-bromanylthiophen-2-yl)methyl-methyl-amino]methyl]-~{N}4-(4-methylphenyl)-1,3,5-triazine-2,4-diamine |
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![PKH PKH](https://data.pdbj.org/pdbjplus/data/cc/svg/PKH.svg) | PKH | Name: | ~{N}-[(1~{R},2~{R},4~{S},7~{E})-7-[azanyl(sulfanyl)methylidene]-7$l^{4}-azabicyclo[2.2.1]heptan-2-yl]-2-chloranyl-4-(6-cyclopropylpyrazin-2-yl)benzamide | Formula: | C21 H23 Cl N5 O S | SMILES: | N/C(S)=[N+]1/C2CC(NC(=O)c3ccc(cc3Cl)c3cncc(n3)C3CC3)C1CC2 | InChi: | InChI=1S/C21H22ClN5OS/c22-15-7-12(18-10-24-9-17(25-18)11-1-2-11)3-5-14(15)20(28)26-16-8-13-4-6-19(16)27(13)21(23)29/h3,5,7,9-11,13,16,19H,1-2,4,6,8H2,(H3,23,26,28,29)/p+1/t13-,16+,19+/m0/s1 | Definition date: | 2022-05-26 | Last modified: | 2023-01-27 | Release date: | 2023-02-01 | Identifier: | (1R,2R,4S,7E)-7-[amino(sulfanyl)methylidene]-2-{[(4M)-2-chloro-4-(6-cyclopropylpyrazin-2-yl)benzene-1-carbonyl]amino}-7-azabicyclo[2.2.1]heptan-7-ium |
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![IJB IJB](https://data.pdbj.org/pdbjplus/data/cc/svg/IJB.svg) | IJB | Name: | 4-[(~{E})-(6-azanyl-2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]benzoic acid | Formula: | C16 H12 N2 O3 | SMILES: | Nc1ccc2c(NC(=O)C2=Cc3ccc(cc3)C(O)=O)c1 | InChi: | InChI=1S/C16H12N2O3/c17-11-5-6-12-13(15(19)18-14(12)8-11)7-9-1-3-10(4-2-9)16(20)21/h1-8H,17H2,(H,18,19)(H,20,21)/b13-7+ | Definition date: | 2022-03-22 | Last modified: | 2023-01-27 | Release date: | 2023-02-01 | Identifier: | 4-[(~{E})-(6-azanyl-2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]benzoic acid |
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![IL7 IL7](https://data.pdbj.org/pdbjplus/data/cc/svg/IL7.svg) | IL7 | Name: | 4-(7-azanyl-5,5-dimethyl-3-methylimino-benzo[b][1]benzosilin-10-yl)-N-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-3-methyl-benzamide | Formula: | C34 H44 Cl N3 O3 Si | SMILES: | CN=C1C=CC2=C(c3ccc(cc3C)C(=O)NCCOCCOCCCCCCCl)c4ccc(N)cc4[Si](C)(C)C2=C1 | InChi: | InChI=1S/C34H44ClN3O3Si/c1-24-21-25(34(39)38-16-18-41-20-19-40-17-8-6-5-7-15-35)9-12-28(24)33-29-13-10-26(36)22-31(29)42(3,4)32-23-27(37-2)11-14-30(32)33/h9-14,21-23H,5-8,15-20,36H2,1-4H3,(H,38,39)/b37-27+ | Synonyms: | HaloTag with Me-TRaQ-G ligand | Definition date: | 2022-03-31 | Last modified: | 2023-01-27 | Release date: | 2023-02-01 | Identifier: | 4-(7-azanyl-5,5-dimethyl-3-methylimino-benzo[b][1]benzosilin-10-yl)-~{N}-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-3-methyl-benzamide |
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![ILJ ILJ](https://data.pdbj.org/pdbjplus/data/cc/svg/ILJ.svg) | ILJ | Name: | (E)-[7-azanyl-10-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-5,5-dimethyl-benzo[b][1]benzosilin-3-ylidene]-methyl-azanium | Formula: | C34 H43 Cl N3 O5 Si | SMILES: | C[NH+]=C1C=CC2=C(c3cc(ccc3C(O)=O)C(=O)NCCOCCOCCCCCCCl)c4ccc(N)cc4[Si](C)(C)C2=C1 | InChi: | InChI=1S/C34H42ClN3O5Si/c1-37-25-10-13-28-31(22-25)44(2,3)30-21-24(36)9-12-27(30)32(28)29-20-23(8-11-26(29)34(40)41)33(39)38-15-17-43-19-18-42-16-7-5-4-6-14-35/h8-13,20-22H,4-7,14-19,36H2,1-3H3,(H,38,39)(H,40,41)/p+1/b37-25+ | Synonyms: | HaloTag with TRaQ-G-ctrl ligand | Definition date: | 2022-03-31 | Last modified: | 2023-01-27 | Release date: | 2023-02-01 | Identifier: | (~{E})-[7-azanyl-10-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-5,5-dimethyl-benzo[b][1]benzosilin-3-ylidene]-methyl-azanium |
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![ILQ ILQ](https://data.pdbj.org/pdbjplus/data/cc/svg/ILQ.svg) | ILQ | Name: | (10R)-7-azanyl-N-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-2'-cyano-5,5-dimethyl-3-(methylamino)-1'-oxidanylidene-spiro[benzo[b][1]benzosiline-10,3'-isoindole]-5'-carboxamide | Formula: | C35 H42 Cl N5 O4 Si | SMILES: | CNc1ccc2c(c1)[Si](C)(C)c3cc(N)ccc3[C]24N(C#N)C(=O)c5ccc(cc45)C(=O)NCCOCCOCCCCCCCl | InChi: | InChI=1S/C35H42ClN5O4Si/c1-39-26-10-13-29-32(22-26)46(2,3)31-21-25(38)9-12-28(31)35(29)30-20-24(8-11-27(30)34(43)41(35)23-37)33(42)40-15-17-45-19-18-44-16-7-5-4-6-14-36/h8-13,20-22,39H,4-7,14-19,38H2,1-3H3,(H,40,42)/t35-/m1/s1 | Definition date: | 2022-04-06 | Last modified: | 2023-01-27 | Release date: | 2023-02-01 | Identifier: | (10~{R})-7-azanyl-~{N}-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-2'-cyano-5,5-dimethyl-3-(methylamino)-1'-oxidanylidene-spiro[benzo[b][1]benzosiline-10,3'-isoindole]-5'-carboxamide |
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![ILU ILU](https://data.pdbj.org/pdbjplus/data/cc/svg/ILU.svg) | ILU | Name: | [7-azanyl-10-[5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]-2-(cyanocarbamoyl)phenyl]-5,5-dimethyl-benzo[b][1]benzosilin-3-ylidene]-methyl-azanium | Formula: | C35 H43 Cl N5 O4 Si | SMILES: | C[NH+]=C1C=CC2=C(c3ccc(N)cc3[Si](C)(C)C2=C1)c4cc(ccc4C(=O)NC#N)C(=O)NCCOCCOCCCCCCCl | InChi: | InChI=1S/C35H42ClN5O4Si/c1-39-26-10-13-29-32(22-26)46(2,3)31-21-25(38)9-12-28(31)33(29)30-20-24(8-11-27(30)35(43)41-23-37)34(42)40-15-17-45-19-18-44-16-7-5-4-6-14-36/h8-13,20-22H,4-7,14-19,38H2,1-3H3,(H,40,42)(H,41,43)/p+1/b39-26+ | Definition date: | 2022-04-06 | Last modified: | 2023-01-27 | Release date: | 2023-02-01 | Identifier: | [7-azanyl-10-[5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]-2-(cyanocarbamoyl)phenyl]-5,5-dimethyl-benzo[b][1]benzosilin-3-ylidene]-methyl-azanium |
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![RH6 RH6](https://data.pdbj.org/pdbjplus/data/cc/svg/RH6.svg) | RH6 | Name: | (2E)-3-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]prop-2-enal, bound form | Formula: | C16 H19 N O2 | SMILES: | CCN(CC)c1ccc2C=C(C=CC)C(=O)Oc2c1 | InChi: | InChI=1S/C16H19NO2/c1-4-7-13-10-12-8-9-14(17(5-2)6-3)11-15(12)19-16(13)18/h4,7-11H,5-6H2,1-3H3/b7-4+ | Definition date: | 2022-06-23 | Last modified: | 2023-01-27 | Release date: | 2023-02-01 | Identifier: | 7-(diethylamino)-3-[(1E)-prop-1-en-1-yl]-2H-1-benzopyran-2-one |
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![WBV WBV](https://data.pdbj.org/pdbjplus/data/cc/svg/WBV.svg) | WBV | Name: | (2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid | Formula: | C27 H31 Cl N4 O3 | SMILES: | Cc3nc4n(Cc1cnn(C)c1)c(C)c(C)c4c(c2ccc(cc2)Cl)c3C(C(O)=O)OC(C)(C)C | InChi: | InChI=1S/C27H31ClN4O3/c1-15-17(3)32(14-18-12-29-31(7)13-18)25-21(15)23(19-8-10-20(28)11-9-19)22(16(2)30-25)24(26(33)34)35-27(4,5)6/h8-13,24H,14H2,1-7H3,(H,33,34)/t24-/m0/s1 | Synonyms: | Pirmitegravir | Definition date: | 2020-10-12 | Last modified: | 2023-01-25 | Release date: | 2021-09-22 | Identifier: | (2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid |
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![7N5 7N5](https://data.pdbj.org/pdbjplus/data/cc/svg/7N5.svg) | 7N5 | Name: | 2-Ketohexanoic acid | Formula: | C6 H10 O3 | SMILES: | CCCCC(=O)C(O)=O | InChi: | InChI=1S/C6H10O3/c1-2-3-4-5(7)6(8)9/h2-4H2,1H3,(H,8,9) | Definition date: | 2016-11-23 | Last modified: | 2023-01-25 | Release date: | 2018-05-02 | Identifier: | 2-oxidanylidenehexanoic acid |
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![GFI GFI](https://data.pdbj.org/pdbjplus/data/cc/svg/GFI.svg) | GFI | Name: | N,N-dimethyl-5-(3-{2-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy}propyl)-1,2-oxazole-3-carboxamide | Formula: | C19 H19 F3 N4 O4 | SMILES: | CN(C)C(=O)c1cc(on1)CCCOc1ccc(cc1C)c1nc(on1)C(F)(F)F | InChi: | InChI=1S/C19H19F3N4O4/c1-11-9-12(16-23-18(30-25-16)19(20,21)22)6-7-15(11)28-8-4-5-13-10-14(24-29-13)17(27)26(2)3/h6-7,9-10H,4-5,8H2,1-3H3 | Definition date: | 2021-12-21 | Last modified: | 2023-01-20 | Release date: | 2023-01-25 | Identifier: | N,N-dimethyl-5-(3-{2-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy}propyl)-1,2-oxazole-3-carboxamide |
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![GH9 GH9](https://data.pdbj.org/pdbjplus/data/cc/svg/GH9.svg) | GH9 | Name: | (1R,4R,6S)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane | Formula: | C10 H16 O | SMILES: | CC12CCC(CC2O1)C(=C)C | InChi: | InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9+,10-/m1/s1 | Synonyms: | +(-)-limonene oxide | Definition date: | 2021-12-21 | Last modified: | 2023-01-20 | Release date: | 2023-01-25 | Identifier: | (1R,4R,6S)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane |
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![GHI GHI](https://data.pdbj.org/pdbjplus/data/cc/svg/GHI.svg) | GHI | Name: | (1S,4S,6R)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane | Formula: | C10 H16 O | SMILES: | CC12CCC(CC2O1)C(=C)C | InChi: | InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9+,10-/m0/s1 | Synonyms: | -(-) limonene oxide | Definition date: | 2021-12-21 | Last modified: | 2023-01-20 | Release date: | 2023-01-25 | Identifier: | (1S,4S,6R)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane |
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![TXH TXH](https://data.pdbj.org/pdbjplus/data/cc/svg/TXH.svg) | TXH | Name: | ~{tert}-butyl ~{N}-[(2~{S})-3-(1~{H}-indol-3-yl)-1-(2-methanoylhydrazinyl)-1-oxidanylidene-propan-2-yl]carbamate | Formula: | C17 H22 N4 O4 | SMILES: | CC(C)(C)OC(=O)N[CH](Cc1c[nH]c2ccccc12)C(=O)NNC=O | InChi: | InChI=1S/C17H22N4O4/c1-17(2,3)25-16(24)20-14(15(23)21-19-10-22)8-11-9-18-13-7-5-4-6-12(11)13/h4-7,9-10,14,18H,8H2,1-3H3,(H,19,22)(H,20,24)(H,21,23)/t14-/m0/s1 | Definition date: | 2023-01-13 | Last modified: | 2023-01-20 | Release date: | 2023-01-25 | Identifier: | ~{tert}-butyl ~{N}-[(2~{S})-3-(1~{H}-indol-3-yl)-1-(2-methanoylhydrazinyl)-1-oxidanylidene-propan-2-yl]carbamate |
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![CI0 CI0](https://data.pdbj.org/pdbjplus/data/cc/svg/CI0.svg) | CI0 | Name: | 1-(1-{(2S)-1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-1-oxopropan-2-yl}piperidin-4-yl)-1,3-dihydro-2H-benzimidazol-2-one | Formula: | C21 H31 N5 O2 | SMILES: | CC(C(=O)N1CC(C)NC(C)C1)N1CCC(CC1)N1c2ccccc2NC1=O | InChi: | InChI=1S/C21H31N5O2/c1-14-12-25(13-15(2)22-14)20(27)16(3)24-10-8-17(9-11-24)26-19-7-5-4-6-18(19)23-21(26)28/h4-7,14-17,22H,8-13H2,1-3H3,(H,23,28)/t14-,15-,16+/m1/s1 | Definition date: | 2021-11-22 | Last modified: | 2023-01-20 | Release date: | 2023-01-25 | Identifier: | 1-(1-{(2S)-1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-1-oxopropan-2-yl}piperidin-4-yl)-1,3-dihydro-2H-benzimidazol-2-one |
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![KO0 KO0](https://data.pdbj.org/pdbjplus/data/cc/svg/KO0.svg) | KO0 | Name: | Himbacine | Formula: | C22 H35 N O2 | SMILES: | C[CH]1CCC[CH](C=C[CH]2[CH]3CCCC[CH]3C[CH]4[CH]2[CH](C)OC4=O)N1C | InChi: | InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3/b12-11+/t14-,15-,16+,17+,18+,19-,20-,21+/m0/s1 | Synonyms: | (3S,3aR,4S,4R,8aR,9aS)-4-[(E)-2-[(2R,6S)-1,6-dimethylpiperidin-2-yl]ethenyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-1-one | Definition date: | 2022-05-31 | Last modified: | 2023-01-20 | Release date: | 2023-01-25 | Identifier: | (3~{S},3~{a}~{R},4~{S},4~{a}~{R},8~{a}~{R},9~{a}~{S})-4-[(~{E})-2-[(2~{R},6~{S})-1,6-dimethylpiperidin-2-yl]ethenyl]-3-methyl-3~{a},4,4~{a},5,6,7,8,8~{a},9,9~{a}-decahydro-3~{H}-benzo[f][2]benzofuran-1-one |
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![0I7 0I7](https://data.pdbj.org/pdbjplus/data/cc/svg/0I7.svg) | 0I7 | Name: | 3-[2-[4-[[4-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-8-yl]phenoxy]methyl]-1,2,3-triazol-1-yl]ethyl]-1,5-dimethyl-6-[(1S)-2-oxidanyl-6-oxidanylidene-cyclohex-2-en-1-yl]carbonyl-quinazoline-2,4-dione | Formula: | C41 H41 B F2 N7 O6 | SMILES: | CN1C(=O)N(CCn2cc(COc3ccc(cc3)C4c5n(c(C)cc5C)[B](F)(F)n6c(C)cc(C)c46)nn2)C(=O)c7c(C)c(ccc17)C(=O)[CH]8C(=CCCC8=O)O | InChi: | InChI=1S/C41H41BF2N7O6/c1-22-18-24(3)50-37(22)35(38-23(2)19-25(4)51(38)42(50,43)44)27-10-12-29(13-11-27)57-21-28-20-48(46-45-28)16-17-49-40(55)34-26(5)30(14-15-31(34)47(6)41(49)56)39(54)36-32(52)8-7-9-33(36)53/h8,10-15,18-20,35-36,52H,7,9,16-17,21H2,1-6H3/t36-/m0/s1 | Definition date: | 2022-01-20 | Last modified: | 2023-01-20 | Release date: | 2023-01-25 | Identifier: | 3-[2-[4-[[4-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-8-yl]phenoxy]methyl]-1,2,3-triazol-1-yl]ethyl]-1,5-dimethyl-6-[(1~{S})-2-oxidanyl-6-oxidanylidene-cyclohex-2-en-1-yl]carbonyl-quinazoline-2,4-dione |
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![I4X I4X](https://data.pdbj.org/pdbjplus/data/cc/svg/I4X.svg) | I4X | Name: | 6-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole | Formula: | C11 H11 N3 S | SMILES: | CC(C)c1ccc2n3cnnc3sc2c1 | InChi: | InChI=1S/C11H11N3S/c1-7(2)8-3-4-9-10(5-8)15-11-13-12-6-14(9)11/h3-7H,1-2H3 | Definition date: | 2022-02-11 | Last modified: | 2023-01-20 | Release date: | 2023-01-25 | Identifier: | 6-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole |
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