![OWK OWK](https://data.pdbj.org/pdbjplus/data/cc/svg/OWK.svg) | OWK | Name: | Metala-Carborane di-ethyl-sulfonamide | Formula: | C8 H15 B18 Co N2 O4 S2 | SMILES: | C[C++]1(CC[S](N)(=O)=O)[B]23B4B5B6[B]247[B-]38[B]679B%10[B]189[Co]5%10%11%12B%13[C++]%14(C[B]%11%15%16B%17B%18[B][B-]%14%18B%19[B]%15%17[B]%12%13%16%19)CC[S](N)(=O)=O | InChi: | InChI=1S/2C4H8B9NO2S.Co/c1-4(2-3-17(14,15)16)9-6-12(9)8-5-7-10(4)11(9,12)13(7,8,10)12 | Definition date: | 2020-04-06 | Last modified: | 2020-09-04 | Release date: | 2020-09-09 |
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![OY5 OY5](https://data.pdbj.org/pdbjplus/data/cc/svg/OY5.svg) | OY5 | Name: | CA IX mimic | Formula: | C8 H12 B18 Co N2 O4 S2 | SMILES: | N[S](=O)(=O)CC[C++]123[C+]45[B]678[B]149[B]6%10%11[B]7%12%13[B]58%14[B]%12%15%16[B]%10%13%17[B]29%11[B]3%15%17[Co]%14%16%18%19[B]%20%21%22[C+]%23%24[B]%20%25%26[B]%23%27%28[B]%25%29%30[B]%21%26%31[B]%29%32%33[B]%27%30%34[B]%18%32([B]%19%22%31%33)[C++]%24%28%34CC[S](N)(=O)=O | InChi: | InChI=1S/2C4H6B9NO2S.Co/c2*14-17(15,16)2-1-4-3-5-7-6(4)10(4)8(3,4)9(3,5)11(5,7)12(6,7,10)13(8,9,10)11 | Definition date: | 2020-04-07 | Last modified: | 2020-09-04 | Release date: | 2020-09-09 |
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![OY8 OY8](https://data.pdbj.org/pdbjplus/data/cc/svg/OY8.svg) | OY8 | Name: | Metala-Carborane di-ethyl-sulfonamide | Formula: | C8 H12 B18 Co N2 O4 S2 | SMILES: | N[S](=O)(=O)CC[C++]123[C+]45[B]678[B]149[B]6%10%11[B]7%12%13[B]58%14[B]%12%15%16[B]%10%13%17[B]29%11[B]3%15%17[Co]%14%16%18%19[B]%20%21%22[C+]%23%24[B]%20%25%26[B]%23%27%28[B]%25%29%30[B]%21%26%31[B]%29%32%33[B]%27%30%34[B]%18%32([B]%19%22%31%33)[C++]%24%28%34CC[S](N)(=O)=O | InChi: | InChI=1S/2C4H6B9NO2S.Co/c2*14-17(15,16)2-1-4-3-5-7-6(4)10(4)8(3,4)9(3,5)11(5,7)12(6,7,10)13(8,9,10)11 | Definition date: | 2020-04-07 | Last modified: | 2020-09-04 | Release date: | 2020-09-09 |
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![Q9D Q9D](https://data.pdbj.org/pdbjplus/data/cc/svg/Q9D.svg) | Q9D | Name: | benzyl [(2S)-1-(3-nitrophenyl)-3-oxobutan-2-yl]carbamate | Formula: | C18 H18 N2 O5 | SMILES: | c1c(cc(cc1)CC(C(C)=O)NC(=O)OCc2ccccc2)[N+](=O)[O-] | InChi: | InChI=1S/C18H18N2O5/c1-13(21)17(11-15-8-5-9-16(10-15)20(23)24)19-18(22)25-12-14-6-3-2-4-7-14/h2-10,17H,11-12H2,1H3,(H,19,22)/t17-/m0/s1 | Definition date: | 2019-10-07 | Last modified: | 2020-09-04 | Release date: | 2020-09-09 | Identifier: | benzyl [(2S)-1-(3-nitrophenyl)-3-oxobutan-2-yl]carbamate |
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![9RX 9RX](https://data.pdbj.org/pdbjplus/data/cc/svg/9RX.svg) | 9RX | Name: | 2-[3-[2-(1H-benzimidazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-yl]benzoic acid | Formula: | C18 H14 N6 O3 S | SMILES: | OC(=O)c1ccccc1c2[nH]nc(SCC(=O)Nc3[nH]c4ccccc4n3)n2 | InChi: | InChI=1S/C18H14N6O3S/c25-14(21-17-19-12-7-3-4-8-13(12)20-17)9-28-18-22-15(23-24-18)10-5-1-2-6-11(10)16(26)27/h1-8H,9H2,(H,26,27)(H,22,23,24)(H2,19,20,21,25) | Definition date: | 2018-07-05 | Last modified: | 2020-09-04 | Release date: | 2020-09-09 | Identifier: | 2-[3-[2-(1~{H}-benzimidazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1~{H}-1,2,4-triazol-5-yl]benzoic acid |
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![GZ6 GZ6](https://data.pdbj.org/pdbjplus/data/cc/svg/GZ6.svg) | GZ6 | Name: | Guanidinium | Formula: | C H6 N3 | SMILES: | C(N)(N)=[NH2+] | InChi: | InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)/p+1 | Definition date: | 2020-07-29 | Last modified: | 2020-09-04 | Release date: | 2020-09-09 | Identifier: | diaminomethaniminium |
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![FWX FWX](https://data.pdbj.org/pdbjplus/data/cc/svg/FWX.svg) | FWX | Name: | 2-(ethylamino)-6-[3-(4-propan-2-ylphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide | Formula: | C22 H29 N5 O2 | SMILES: | CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc3ccc(cc3)C(C)C | InChi: | InChI=1S/C22H29N5O2/c1-4-24-22-25-18-11-12-27(13-17(18)20(26-22)21(23)29)19(28)10-7-15-5-8-16(9-6-15)14(2)3/h5-6,8-9,14H,4,7,10-13H2,1-3H3,(H2,23,29)(H,24,25,26) | Definition date: | 2020-06-29 | Last modified: | 2020-09-04 | Release date: | 2020-09-09 | Identifier: | 2-(ethylamino)-6-[3-(4-propan-2-ylphenyl)propanoyl]-7,8-dihydro-5~{H}-pyrido[4,3-d]pyrimidine-4-carboxamide |
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![LK8 LK8](https://data.pdbj.org/pdbjplus/data/cc/svg/LK8.svg) | LK8 | Name: | (2~{S})-1-[2,4-bis(chloranyl)-3-[[2-methyl-4-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]carbonyl-~{N}-methyl-pyrrolidine-2-carboxamide | Formula: | C25 H22 Cl2 F3 N3 O3 | SMILES: | CNC(=O)[CH]1CCCN1C(=O)c2ccc(Cl)c(COc3cccc4c(cc(C)nc34)C(F)(F)F)c2Cl | InChi: | InChI=1S/C25H22Cl2F3N3O3/c1-13-11-17(25(28,29)30)14-5-3-7-20(22(14)32-13)36-12-16-18(26)9-8-15(21(16)27)24(35)33-10-4-6-19(33)23(34)31-2/h3,5,7-9,11,19H,4,6,10,12H2,1-2H3,(H,31,34)/t19-/m0/s1 | Definition date: | 2019-08-21 | Last modified: | 2020-09-04 | Release date: | 2020-09-09 | Identifier: | (2~{S})-1-[2,4-bis(chloranyl)-3-[[2-methyl-4-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]carbonyl-~{N}-methyl-pyrrolidine-2-carboxamide |
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![LQ2 LQ2](https://data.pdbj.org/pdbjplus/data/cc/svg/LQ2.svg) | LQ2 | Name: | 4-aminocarbonylbenzoic acid | Formula: | C8 H7 N O3 | SMILES: | NC(=O)c1ccc(cc1)C(O)=O | InChi: | InChI=1S/C8H7NO3/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H2,9,10)(H,11,12) | Definition date: | 2019-08-30 | Last modified: | 2020-09-04 | Release date: | 2020-09-09 | Identifier: | 4-aminocarbonylbenzoic acid |
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![LYE LYE](https://data.pdbj.org/pdbjplus/data/cc/svg/LYE.svg) | LYE | Name: | bromophenol blue | Formula: | C19 H10 Br4 O5 S | SMILES: | Oc1c(Br)cc(cc1Br)C(=C2C=C(Br)C(=O)C(=C2)Br)c3ccccc3[S](O)(=O)=O | InChi: | InChI=1S/C19H10Br4O5S/c20-12-5-9(6-13(21)18(12)24)17(10-7-14(22)19(25)15(23)8-10)11-3-1-2-4-16(11)29(26,27)28/h1-8,24H,(H,26,27,28) | Definition date: | 2019-09-27 | Last modified: | 2020-09-04 | Release date: | 2020-09-09 | Identifier: | 2-[[3,5-bis(bromanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]methyl]benzenesulfonic acid |
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![F00 F00](https://data.pdbj.org/pdbjplus/data/cc/svg/F00.svg) | F00 | Name: | (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-undec-10-enoxy-oxane-2,3,5-triol | Formula: | C17 H32 O6 | SMILES: | OC[CH]1O[CH](O)[CH](O)[CH](OCCCCCCCCCC=C)[CH]1O | InChi: | InChI=1S/C17H32O6/c1-2-3-4-5-6-7-8-9-10-11-22-16-14(19)13(12-18)23-17(21)15(16)20/h2,13-21H,1,3-12H2/t13-,14-,15-,16+,17+/m1/s1 | Definition date: | 2020-02-28 | Last modified: | 2020-09-04 | Release date: | 2020-09-09 | Identifier: | (2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-4-undec-10-enoxy-oxane-2,3,5-triol |
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![MV5 MV5](https://data.pdbj.org/pdbjplus/data/cc/svg/MV5.svg) | MV5 | Name: | (2~{R})-2-azanyl-3-[[(2~{R})-2-azanyl-3-oxidanylidene-propyl]disulfanyl]propanamide | Formula: | C6 H13 N3 O2 S2 | SMILES: | N[CH](CSSC[CH](N)C(N)=O)C=O | InChi: | InChI=1S/C6H13N3O2S2/c7-4(1-10)2-12-13-3-5(8)6(9)11/h1,4-5H,2-3,7-8H2,(H2,9,11)/t4-,5+/m1/s1 | Definition date: | 2019-10-24 | Last modified: | 2020-09-04 | Release date: | 2020-09-09 | Identifier: | (2~{R})-2-azanyl-3-[[(2~{R})-2-azanyl-3-oxidanylidene-propyl]disulfanyl]propanamide |
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![NKV NKV](https://data.pdbj.org/pdbjplus/data/cc/svg/NKV.svg) | NKV | Name: | N-(2-methylpropanoyl)adenosine | Formula: | C14 H19 N5 O5 | SMILES: | C3(C(C(n2c1c(c(NC(C(C)C)=O)ncn1)nc2)OC3CO)O)O | InChi: | InChI=1S/C14H19N5O5/c1-6(2)13(23)18-11-8-12(16-4-15-11)19(5-17-8)14-10(22)9(21)7(3-20)24-14/h4-7,9-10,14,20-22H,3H2,1-2H3,(H,15,16,18,23)/t7-,9-,10-,14-/m1/s1 | Definition date: | 2019-05-17 | Last modified: | 2020-09-04 | Release date: | 2020-09-09 | Identifier: | N-(2-methylpropanoyl)adenosine |
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![RTL RTL](https://data.pdbj.org/pdbjplus/data/cc/svg/RTL.svg) | RTL | Name: | RETINOL | Formula: | C20 H30 O | SMILES: | C1(CCCC(=C1C=CC(=CC=CC(=CCO)C)C)C)(C)C | InChi: | InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+ | Definition date: | 1999-07-08 | Last modified: | 2020-09-03 | Identifier: | retinol |
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![S49 S49](https://data.pdbj.org/pdbjplus/data/cc/svg/S49.svg) | S49 | Name: | (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidine-2-carboxamide | Formula: | C29 H33 N5 O4 S | SMILES: | C(S(=O)(=O)NC(Cc1ccccc1)C(N3C(C(=O)NCc2ccc(/C(N)=N)cc2)CCC3)=O)c4ccccc4 | InChi: | InChI=1S/C29H33N5O4S/c30-27(31)24-15-13-22(14-16-24)19-32-28(35)26-12-7-17-34(26)29(36)25(18-21-8-3-1-4-9-21)33-39(37,38)20-23-10-5-2-6-11-23/h1-6,8-11,13-16,25-26,33H,7,12,17-20H2,(H3,30,31)(H,32,35)/t25-,26+/m1/s1 | Definition date: | 2015-03-23 | Last modified: | 2020-09-03 | Release date: | 2015-07-15 | Identifier: | N-(benzylsulfonyl)-D-phenylalanyl-N-(4-carbamimidoylbenzyl)-L-prolinamide |
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![UFS UFS](https://data.pdbj.org/pdbjplus/data/cc/svg/UFS.svg) | UFS | Name: | N~1~-(4-{4-[(hex-5-ynoyl)amino]benzene-1-carbonyl}phenyl)-N~8~-hydroxyoctanediamide | Formula: | C27 H31 N3 O5 | SMILES: | c1cc(NC(CCCCCCC(NO)=O)=O)ccc1C(c2ccc(cc2)NC(CCCC#C)=O)=O | InChi: | InChI=1S/C27H31N3O5/c1-2-3-6-9-24(31)28-22-16-12-20(13-17-22)27(34)21-14-18-23(19-15-21)29-25(32)10-7-4-5-8-11-26(33)30-35/h1,12-19,35H,3-11H2,(H,28,31)(H,29,32)(H,30,33) | Definition date: | 2020-05-14 | Last modified: | 2020-08-28 | Release date: | 2020-09-02 | Identifier: | N~1~-(4-{4-[(hex-5-ynoyl)amino]benzene-1-carbonyl}phenyl)-N~8~-hydroxyoctanediamide |
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![V8Y V8Y](https://data.pdbj.org/pdbjplus/data/cc/svg/V8Y.svg) | V8Y | Name: | 7-{[(5-chloronaphthalen-1-yl)sulfonyl]amino}heptanoic acid | Formula: | C17 H20 Cl N O4 S | SMILES: | Clc1c2cccc(S(NCCCCCCC(=O)O)(=O)=O)c2ccc1 | InChi: | InChI=1S/C17H20ClNO4S/c18-15-9-5-8-14-13(15)7-6-10-16(14)24(22,23)19-12-4-2-1-3-11-17(20)21/h5-10,19H,1-4,11-12H2,(H,20,21) | Definition date: | 2020-07-20 | Last modified: | 2020-08-28 | Release date: | 2020-09-02 | Identifier: | 7-{[(5-chloronaphthalen-1-yl)sulfonyl]amino}heptanoic acid |
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![U3J U3J](https://data.pdbj.org/pdbjplus/data/cc/svg/U3J.svg) | U3J | Name: | xanthosine diphosphate | Formula: | C10 H14 N4 O12 P2 | SMILES: | N1C(=O)c2ncn(c2NC1=O)C3C(O)C(C(COP(O)(=O)OP(=O)(O)O)O3)O | InChi: | InChI=1S/C10H14N4O12P2/c15-5-3(1-24-28(22,23)26-27(19,20)21)25-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H,22,23)(H2,19,20,21)(H2,12,13,17,18)/t3-,5+,6+,9-/m1/s1 | Definition date: | 2020-04-13 | Last modified: | 2020-08-28 | Release date: | 2020-09-02 | Identifier: | 9-{5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-beta-D-lyxofuranosyl}-3,9-dihydro-1H-purine-2,6-dione |
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![TQ7 TQ7](https://data.pdbj.org/pdbjplus/data/cc/svg/TQ7.svg) | TQ7 | Name: | 5-bromo-N-(diphenylmethyl)-N-methylthiophene-2-carboxamide | Formula: | C19 H16 Br N O S | SMILES: | c3c(Br)sc(C(=O)N(C(c1ccccc1)c2ccccc2)C)c3 | InChi: | InChI=1S/C19H16BrNOS/c1-21(19(22)16-12-13-17(20)23-16)18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13,18H,1H3 | Definition date: | 2020-03-26 | Last modified: | 2020-08-28 | Release date: | 2020-09-02 | Identifier: | 5-bromo-N-(diphenylmethyl)-N-methylthiophene-2-carboxamide |
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![UXP UXP](https://data.pdbj.org/pdbjplus/data/cc/svg/UXP.svg) | UXP | Name: | [(2R)-1-{4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2H-pyrazolo[3,4-d]pyrimidin-6-yl}piperidin-2-yl]methanol | Formula: | C17 H22 N8 O | SMILES: | C1CC1c2cc(nn2)Nc4nc(nc3c4cnn3)N5C(CO)CCCC5 | InChi: | InChI=1S/C17H22N8O/c26-9-11-3-1-2-6-25(11)17-20-15(12-8-18-24-16(12)21-17)19-14-7-13(22-23-14)10-4-5-10/h7-8,10-11,26H,1-6,9H2,(H3,18,19,20,21,22,23,24)/t11-/m1/s1 | Definition date: | 2020-06-03 | Last modified: | 2020-08-28 | Release date: | 2020-09-02 | Identifier: | [(2R)-1-{4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2H-pyrazolo[3,4-d]pyrimidin-6-yl}piperidin-2-yl]methanol |
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![UYD UYD](https://data.pdbj.org/pdbjplus/data/cc/svg/UYD.svg) | UYD | Name: | (2R)-2-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethan-1-ol | Formula: | C21 H26 N8 O | SMILES: | C(Nc3nc(Nc1nn(C)c(c1)C(C)(C)C)c2c(nnc2)n3)(CO)c4ccccc4 | InChi: | InChI=1S/C21H26N8O/c1-21(2,3)16-10-17(28-29(16)4)24-18-14-11-22-27-19(14)26-20(25-18)23-15(12-30)13-8-6-5-7-9-13/h5-11,15,30H,12H2,1-4H3,(H3,22,23,24,25,26,27,28)/t15-/m0/s1 | Definition date: | 2020-06-04 | Last modified: | 2020-08-28 | Release date: | 2020-09-02 | Identifier: | (2R)-2-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethan-1-ol |
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![UYS UYS](https://data.pdbj.org/pdbjplus/data/cc/svg/UYS.svg) | UYS | Name: | 3-amino-N-(diaminomethylidene)-5-(dimethylamino)-6-(phenylethynyl)pyrazine-2-carboxamide | Formula: | C16 H17 N7 O | SMILES: | c1(c(N(C)C)nc(N)c(n1)C(N=C(/N)N)=O)C#Cc2ccccc2 | InChi: | InChI=1S/C16H17N7O/c1-23(2)14-11(9-8-10-6-4-3-5-7-10)20-12(13(17)21-14)15(24)22-16(18)19/h3-7H,1-2H3,(H2,17,21)(H4,18,19,22,24) | Definition date: | 2020-06-08 | Last modified: | 2020-08-28 | Release date: | 2020-09-02 | Identifier: | 3-amino-N-(diaminomethylidene)-5-(dimethylamino)-6-(phenylethynyl)pyrazine-2-carboxamide |
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![U67 U67](https://data.pdbj.org/pdbjplus/data/cc/svg/U67.svg) | U67 | Name: | 4-methylpentan-1-amine | Formula: | C6 H15 N | SMILES: | CC(C)CCCN | InChi: | InChI=1S/C6H15N/c1-6(2)4-3-5-7/h6H,3-5,7H2,1-2H3 | Definition date: | 2020-04-27 | Last modified: | 2020-08-28 | Release date: | 2020-09-02 | Identifier: | 4-methylpentan-1-amine |
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![VF4 VF4](https://data.pdbj.org/pdbjplus/data/cc/svg/VF4.svg) | VF4 | Name: | (1R,3S)-3-methylcyclohexan-1-ol | Formula: | C7 H14 O | SMILES: | C1(CCCC(C1)C)O | InChi: | InChI=1S/C7H14O/c1-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3/t6-,7+/m0/s1 | Definition date: | 2020-08-06 | Last modified: | 2020-08-28 | Release date: | 2020-09-02 | Identifier: | (1R,3S)-3-methylcyclohexan-1-ol |
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![VFA VFA](https://data.pdbj.org/pdbjplus/data/cc/svg/VFA.svg) | VFA | Name: | N-[(3-methoxyphenyl)methyl]-5H-[1]benzopyrano[3,4-c]pyridine-8-carboxamide | Formula: | C21 H18 N2 O3 | SMILES: | c1c(cccc1OC)CNC(c4ccc3c2ccncc2COc3c4)=O | InChi: | InChI=1S/C21H18N2O3/c1-25-17-4-2-3-14(9-17)11-23-21(24)15-5-6-19-18-7-8-22-12-16(18)13-26-20(19)10-15/h2-10,12H,11,13H2,1H3,(H,23,24) | Definition date: | 2020-08-06 | Last modified: | 2020-08-28 | Release date: | 2020-09-02 | Identifier: | N-[(3-methoxyphenyl)methyl]-5H-[1]benzopyrano[3,4-c]pyridine-8-carboxamide |
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