![V4W V4W](https://data.pdbj.org/pdbjplus/data/cc/svg/V4W.svg) | V4W | Name: | 4-deoxy-L-erythro-hex-5-ulosuronic acid | Formula: | C6 H8 O6 | SMILES: | O[CH](CC(=O)C(O)=O)[CH](O)C=O | InChi: | InChI=1S/C6H8O6/c7-2-5(10)3(8)1-4(9)6(11)12/h2-3,5,8,10H,1H2,(H,11,12)/t3-,5+/m0/s1 | Synonyms: | (4S,5S)-4,5-bis(oxidanyl)-2,6-bis(oxidanylidene)hexanoic acid | Definition date: | 2021-04-13 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | (4~{S},5~{S})-4,5-bis(oxidanyl)-2,6-bis(oxidanylidene)hexanoic acid |
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![V8A V8A](https://data.pdbj.org/pdbjplus/data/cc/svg/V8A.svg) | V8A | Name: | 2,7-bis[3-(morpholin-4-yl)propyl]-4,9-bis{[3-(morpholin-4-yl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone | Formula: | C42 H60 N8 O8 | SMILES: | C(CCN1CCOCC1)N2C(=O)c7c6c(C2=O)cc(NCCCN3CCOCC3)c5C(=O)N(CCCN4CCOCC4)C(c(c56)cc7NCCCN8CCOCC8)=O | InChi: | InChI=1S/C42H60N8O8/c51-39-31-29-33(43-5-1-7-45-13-21-55-22-14-45)37-35-32(40(52)49(41(37)53)11-3-9-47-17-25-57-26-18-47)30-34(44-6-2-8-46-15-23-56-24-16-46)38(36(31)35)42(54)50(39)12-4-10-48-19-27-58-28-20-48/h29-30,43-44H,1-28H2 | Definition date: | 2020-07-14 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | 2,7-bis[3-(morpholin-4-yl)propyl]-4,9-bis{[3-(morpholin-4-yl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone |
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![V8B V8B](https://data.pdbj.org/pdbjplus/data/cc/svg/V8B.svg) | V8B | Name: | 6-methyl-3-[4-(2-oxidanylpropan-2-yl)phenyl]-4~{H}-pyrrolo[1,2-a]pyrazin-1-one | Formula: | C17 H18 N2 O2 | SMILES: | Cc1ccc2n1CC(=NC2=O)c3ccc(cc3)C(C)(C)O | InChi: | InChI=1S/C17H18N2O2/c1-11-4-9-15-16(20)18-14(10-19(11)15)12-5-7-13(8-6-12)17(2,3)21/h4-9,21H,10H2,1-3H3 | Definition date: | 2021-04-28 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | 6-methyl-3-[4-(2-oxidanylpropan-2-yl)phenyl]-4~{H}-pyrrolo[1,2-a]pyrazin-1-one |
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![V9B V9B](https://data.pdbj.org/pdbjplus/data/cc/svg/V9B.svg) | V9B | Name: | N-methyl-4-propanoyl-1H-pyrrole-2-carboxamide | Formula: | C9 H12 N2 O2 | SMILES: | CCC(=O)c1c[nH]c(c1)C(=O)NC | InChi: | InChI=1S/C9H12N2O2/c1-3-8(12)6-4-7(11-5-6)9(13)10-2/h4-5,11H,3H2,1-2H3,(H,10,13) | Synonyms: | N-methyl-4-propionyl-1H-pyrrole-2-carboxamide | Definition date: | 2021-05-01 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | ~{N}-methyl-4-propanoyl-1~{H}-pyrrole-2-carboxamide |
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![V9H V9H](https://data.pdbj.org/pdbjplus/data/cc/svg/V9H.svg) | V9H | Name: | 3N-methyl-5N-(4-oxidanylcyclohexyl)-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide | Formula: | C20 H26 N4 O3 | SMILES: | CNC(=O)c1cc(n(n1)[CH](C)c2ccccc2)C(=O)N[CH]3CC[CH](O)CC3 | InChi: | InChI=1S/C20H26N4O3/c1-13(14-6-4-3-5-7-14)24-18(12-17(23-24)19(26)21-2)20(27)22-15-8-10-16(25)11-9-15/h3-7,12-13,15-16,25H,8-11H2,1-2H3,(H,21,26)(H,22,27)/t13-,15-,16-/m0/s1 | Synonyms: | N5-((1r,4S)-4-hydroxycyclohexyl)-N3-methyl-1-((S)-1-phenylethyl)-1H-pyrazole-3,5-dicarboxamide | Definition date: | 2021-05-01 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | ~{N}3-methyl-~{N}5-(4-oxidanylcyclohexyl)-1-[(1~{S})-1-phenylethyl]pyrazole-3,5-dicarboxamide |
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![V9K V9K](https://data.pdbj.org/pdbjplus/data/cc/svg/V9K.svg) | V9K | Name: | 2N-methyl-4N-(4-oxidanylcyclohexyl)-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide | Formula: | C21 H26 N2 O4 | SMILES: | CNC(=O)c1oc([CH](C)c2ccccc2)c(c1)C(=O)N[CH]3CC[CH](O)CC3 | InChi: | InChI=1S/C21H26N2O4/c1-13(14-6-4-3-5-7-14)19-17(12-18(27-19)21(26)22-2)20(25)23-15-8-10-16(24)11-9-15/h3-7,12-13,15-16,24H,8-11H2,1-2H3,(H,22,26)(H,23,25)/t13-,15-,16-/m0/s1 | Synonyms: | N4-hydroxycyclohexyl-N2-methyl-5-phenylethyl-furan-2,4-dicarboxamide | Definition date: | 2021-05-01 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | ~{N}2-methyl-~{N}4-(4-oxidanylcyclohexyl)-5-[(1~{S})-1-phenylethyl]furan-2,4-dicarboxamide |
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![V9N V9N](https://data.pdbj.org/pdbjplus/data/cc/svg/V9N.svg) | V9N | Name: | (3S)-N7,3-dimethyl-N5-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide | Formula: | C23 H24 N2 O4 | SMILES: | CNC(=O)c1cc(cc2c1OC[C]2(C)c3ccccc3)C(=O)NC4[CH]5COC[CH]45 | InChi: | InChI=1S/C23H24N2O4/c1-23(14-6-4-3-5-7-14)12-29-20-15(22(27)24-2)8-13(9-18(20)23)21(26)25-19-16-10-28-11-17(16)19/h3-9,16-17,19H,10-12H2,1-2H3,(H,24,27)(H,25,26)/t16-,17+,19+,23-/m0/s1 | Synonyms: | rac-N5-((1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl)-N7,3-dimethyl-3-phenyl-2,3-dihydrobenzofuran-5,7-dicarboxamide | Definition date: | 2021-05-02 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | (3~{S})-~{N}7,3-dimethyl-~{N}5-[(1~{R},5~{S})-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2~{H}-1-benzofuran-5,7-dicarboxamide |
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![V9Q V9Q](https://data.pdbj.org/pdbjplus/data/cc/svg/V9Q.svg) | V9Q | Name: | (3S)-3-(1H-indol-4-yl)-N7-methyl-N5-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2,3-dihydro-1-benzofuran-5,7-dicarboxamide | Formula: | C24 H23 N3 O4 | SMILES: | CNC(=O)c1cc(cc2[CH](COc12)c3cccc4[nH]ccc34)C(=O)NC5[CH]6COC[CH]56 | InChi: | InChI=1S/C24H23N3O4/c1-25-24(29)16-8-12(23(28)27-21-18-9-30-10-19(18)21)7-15-17(11-31-22(15)16)13-3-2-4-20-14(13)5-6-26-20/h2-8,17-19,21,26H,9-11H2,1H3,(H,25,29)(H,27,28)/t17-,18-,19+,21+/m0/s1 | Synonyms: | N5-((1R,5S,6r)-3-oxabicyclo[3.1.0]hexan-6-yl)-3-(1H-indol-4-yl)-N7-methyl-2,3-dihydrobenzofuran-5,7-dicarboxamide | Definition date: | 2021-05-02 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | (3~{S})-3-(1~{H}-indol-4-yl)-~{N}7-methyl-~{N}5-[(1~{R},5~{S})-3-oxabicyclo[3.1.0]hexan-6-yl]-2,3-dihydro-1-benzofuran-5,7-dicarboxamide |
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![VCD VCD](https://data.pdbj.org/pdbjplus/data/cc/svg/VCD.svg) | VCD | Name: | 4-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2-yl}-1H-indole | Formula: | C21 H24 N4 O3 S | SMILES: | C5OCC(C)N(c4cc(C1(S(C)(=O)=O)CC1)nc(c2cccc3c2ccn3)n4)C5 | InChi: | InChI=1S/C21H24N4O3S/c1-14-13-28-11-10-25(14)19-12-18(21(7-8-21)29(2,26)27)23-20(24-19)16-4-3-5-17-15(16)6-9-22-17/h3-6,9,12,14,22H,7-8,10-11,13H2,1-2H3/t14-/m1/s1 | Definition date: | 2020-07-27 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | 4-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2-yl}-1H-indole |
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![VE5 VE5](https://data.pdbj.org/pdbjplus/data/cc/svg/VE5.svg) | VE5 | Name: | N5-cyclopropyl-N3-methyl-1-(phenylmethyl)pyrazole-3,5-dicarboxamide | Formula: | C16 H18 N4 O2 | SMILES: | CNC(=O)c1cc(n(Cc2ccccc2)n1)C(=O)NC3CC3 | InChi: | InChI=1S/C16H18N4O2/c1-17-15(21)13-9-14(16(22)18-12-7-8-12)20(19-13)10-11-5-3-2-4-6-11/h2-6,9,12H,7-8,10H2,1H3,(H,17,21)(H,18,22) | Synonyms: | 1-benzyl-N5-cyclopropyl-N3-methyl-1H-pyrazole-3,5-dicarboxamide | Definition date: | 2021-05-07 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | ~{N}5-cyclopropyl-~{N}3-methyl-1-(phenylmethyl)pyrazole-3,5-dicarboxamide |
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![VXJ VXJ](https://data.pdbj.org/pdbjplus/data/cc/svg/VXJ.svg) | VXJ | Name: | N-(3-chloro-4-fluorophenyl)-3-phenyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide | Formula: | C19 H16 Cl F N4 O | SMILES: | c1c(c(cc(c1)NC(=O)N2Cc3c(CC2)nnc3c4ccccc4)Cl)F | InChi: | InChI=1S/C19H16ClFN4O/c20-15-10-13(6-7-16(15)21)22-19(26)25-9-8-17-14(11-25)18(24-23-17)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,22,26)(H,23,24) | Definition date: | 2020-09-18 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | N-(3-chloro-4-fluorophenyl)-3-phenyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide |
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![XNG XNG](https://data.pdbj.org/pdbjplus/data/cc/svg/XNG.svg) | XNG | Name: | 4-(decanoylamino)butanoic acid | Formula: | C14 H27 N O3 | SMILES: | C(CCC(=O)O)NC(CCCCCCCCC)=O | InChi: | InChI=1S/C14H27NO3/c1-2-3-4-5-6-7-8-10-13(16)15-12-9-11-14(17)18/h2-12H2,1H3,(H,15,16)(H,17,18) | Definition date: | 2020-12-22 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | 4-(decanoylamino)butanoic acid |
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![Y6P Y6P](https://data.pdbj.org/pdbjplus/data/cc/svg/Y6P.svg) | Y6P | Name: | 7-methyl-3-(1~{H}-pyrazol-4-yl)-1~{H}-indole-2-carboxylic acid | Formula: | C13 H11 N3 O2 | SMILES: | Cc1cccc2c1[nH]c(C(O)=O)c2c3c[nH]nc3 | InChi: | InChI=1S/C13H11N3O2/c1-7-3-2-4-9-10(8-5-14-15-6-8)12(13(17)18)16-11(7)9/h2-6,16H,1H3,(H,14,15)(H,17,18) | Definition date: | 2021-02-08 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | 7-methyl-3-(1~{H}-pyrazol-4-yl)-1~{H}-indole-2-carboxylic acid |
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![YFP YFP](https://data.pdbj.org/pdbjplus/data/cc/svg/YFP.svg) | YFP | Name: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol | Formula: | C40 H77 O10 P | SMILES: | O=C(OC(COP(O)(=O)OCC(O)CO)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC | InChi: | InChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37-38,41-42H,3-16,19-36H2,1-2H3,(H,45,46)/t37?,38-/m1/s1 | Definition date: | 2021-02-25 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | (19R,22R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl octadec-9-enoate |
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![YFS YFS](https://data.pdbj.org/pdbjplus/data/cc/svg/YFS.svg) | YFS | Name: | N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide | Formula: | C16 H21 N3 O3 | SMILES: | c1(ccc(cc1OC)NC(C(N)CC(C)C)=O)c2ocnc2 | InChi: | InChI=1S/C16H21N3O3/c1-10(2)6-13(17)16(20)19-11-4-5-12(14(7-11)21-3)15-8-18-9-22-15/h4-5,7-10,13H,6,17H2,1-3H3,(H,19,20)/t13-/m1/s1 | Definition date: | 2021-02-26 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide |
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![YFV YFV](https://data.pdbj.org/pdbjplus/data/cc/svg/YFV.svg) | YFV | Name: | 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine | Formula: | C23 H28 N8 S | SMILES: | c3(c1n(ccc1CN2CCC(CC2)N)ncn3)Nc4cccc(c4)c5sc(C(C)C)nn5 | InChi: | InChI=1S/C23H28N8S/c1-15(2)22-28-29-23(32-22)16-4-3-5-19(12-16)27-21-20-17(6-11-31(20)26-14-25-21)13-30-9-7-18(24)8-10-30/h3-6,11-12,14-15,18H,7-10,13,24H2,1-2H3,(H,25,26,27) | Definition date: | 2021-02-26 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine |
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![YFY YFY](https://data.pdbj.org/pdbjplus/data/cc/svg/YFY.svg) | YFY | Name: | (2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(propan-2-yl)piperidine-2-carboxamide | Formula: | C19 H25 N3 O3 | SMILES: | COc2cc(ccc2c1cnco1)NC(=O)C3C(C(C)C)CCCN3 | InChi: | InChI=1S/C19H25N3O3/c1-12(2)14-5-4-8-21-18(14)19(23)22-13-6-7-15(16(9-13)24-3)17-10-20-11-25-17/h6-7,9-12,14,18,21H,4-5,8H2,1-3H3,(H,22,23)/t14-,18-/m1/s1 | Definition date: | 2021-02-26 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | (2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(propan-2-yl)piperidine-2-carboxamide |
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![PDU PDU](https://data.pdbj.org/pdbjplus/data/cc/svg/PDU.svg) | PDU | Name: | 5(1-PROPYNYL)-2'-DEOXYURIDINE-5-MONOPHOSPHATE | Formula: | C12 H15 N2 O8 P | SMILES: | CC#CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O | InChi: | InChI=1S/C12H15N2O8P/c1-2-3-7-5-14(12(17)13-11(7)16)10-4-8(15)9(22-10)6-21-23(18,19)20/h5,8-10,15H,4,6H2,1H3,(H,13,16,17)(H2,18,19,20)/t8-,9+,10+/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2021-07-21 | Identifier: | [(2~{R},3~{S},5~{R})-5-[2,4-bis(oxidanylidene)-5-prop-1-ynyl-pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
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![ZQS ZQS](https://data.pdbj.org/pdbjplus/data/cc/svg/ZQS.svg) | ZQS | Name: | (4aR,7aR)-6-(pyrimidin-2-yl)-7a-(thiophen-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine | Formula: | C14 H15 N5 S2 | SMILES: | NC1=NC2(CN(CC2CS1)c1ncccn1)c1cccs1 | InChi: | InChI=1S/C14H15N5S2/c15-12-18-14(11-3-1-6-20-11)9-19(7-10(14)8-21-12)13-16-4-2-5-17-13/h1-6,10H,7-9H2,(H2,15,18)/t10-,14-/m0/s1 | Definition date: | 2021-05-21 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | (4aR,7aR)-6-(pyrimidin-2-yl)-7a-(thiophen-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine |
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![ZR7 ZR7](https://data.pdbj.org/pdbjplus/data/cc/svg/ZR7.svg) | ZR7 | Name: | N-{3-[(4aR,7aS)-2-amino-6-(5-fluoropyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-4-fluorophenyl}-5-methoxypyrazine-2-carboxamide | Formula: | C22 H20 F2 N8 O2 S | SMILES: | COc1ncc(nc1)C(=O)Nc1cc(c(F)cc1)C12N=C(N)SCC2CN(C1)c1ncc(F)cn1 | InChi: | InChI=1S/C22H20F2N8O2S/c1-34-18-8-26-17(7-27-18)19(33)30-14-2-3-16(24)15(4-14)22-11-32(21-28-5-13(23)6-29-21)9-12(22)10-35-20(25)31-22/h2-8,12H,9-11H2,1H3,(H2,25,31)(H,30,33)/t12-,22-/m0/s1 | Definition date: | 2021-05-24 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | N-{3-[(4aR,7aS)-2-amino-6-(5-fluoropyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-4-fluorophenyl}-5-methoxypyrazine-2-carboxamide |
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![HS0 HS0](https://data.pdbj.org/pdbjplus/data/cc/svg/HS0.svg) | HS0 | Name: | 6-bromanyl-1~{H}-indazol-4-amine | Formula: | C7 H6 Br N3 | SMILES: | Nc1cc(Br)cc2[nH]ncc12 | InChi: | InChI=1S/C7H6BrN3/c8-4-1-6(9)5-3-10-11-7(5)2-4/h1-3H,9H2,(H,10,11) | Definition date: | 2021-01-29 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | 6-bromanyl-1~{H}-indazol-4-amine |
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![HU0 HU0](https://data.pdbj.org/pdbjplus/data/cc/svg/HU0.svg) | HU0 | Name: | 4-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]phenol | Formula: | C14 H12 Br N3 O | SMILES: | Oc1ccc(CNc2cc(Br)cc3[nH]ncc23)cc1 | InChi: | InChI=1S/C14H12BrN3O/c15-10-5-13(12-8-17-18-14(12)6-10)16-7-9-1-3-11(19)4-2-9/h1-6,8,16,19H,7H2,(H,17,18) | Definition date: | 2021-02-01 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | 4-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]phenol |
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![HU3 HU3](https://data.pdbj.org/pdbjplus/data/cc/svg/HU3.svg) | HU3 | Name: | (1~{S},2~{R})-2-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol | Formula: | C14 H18 Br N3 O | SMILES: | O[CH]1CCCC[CH]1CNc2cc(Br)cc3[nH]ncc23 | InChi: | InChI=1S/C14H18BrN3O/c15-10-5-12(11-8-17-18-13(11)6-10)16-7-9-3-1-2-4-14(9)19/h5-6,8-9,14,16,19H,1-4,7H2,(H,17,18)/t9-,14+/m1/s1 | Definition date: | 2021-02-01 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | (1~{S},2~{R})-2-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol |
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![HU6 HU6](https://data.pdbj.org/pdbjplus/data/cc/svg/HU6.svg) | HU6 | Name: | (1~{R},2~{S})-2-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol | Formula: | C14 H18 Br N3 O | SMILES: | O[CH]1CCCC[CH]1CNc2cc(Br)cc3[nH]ncc23 | InChi: | InChI=1S/C14H18BrN3O/c15-10-5-12(11-8-17-18-13(11)6-10)16-7-9-3-1-2-4-14(9)19/h5-6,8-9,14,16,19H,1-4,7H2,(H,17,18)/t9-,14+/m0/s1 | Definition date: | 2021-02-01 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | (1~{R},2~{S})-2-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol |
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![HU9 HU9](https://data.pdbj.org/pdbjplus/data/cc/svg/HU9.svg) | HU9 | Name: | (1~{R},2~{S})-2-[[(5-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol | Formula: | C14 H18 Br N3 O | SMILES: | O[CH]1CCCC[CH]1CNc2c(Br)ccc3[nH]ncc23 | InChi: | InChI=1S/C14H18BrN3O/c15-11-5-6-12-10(8-17-18-12)14(11)16-7-9-3-1-2-4-13(9)19/h5-6,8-9,13,16,19H,1-4,7H2,(H,17,18)/t9-,13+/m0/s1 | Definition date: | 2021-02-01 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | (1~{R},2~{S})-2-[[(5-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol |
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