![QY1 QY1](https://data.pdbj.org/pdbjplus/data/cc/svg/QY1.svg) | QY1 | Name: | (2R)-cyclopentyl{4-[(quinolin-2-yl)methoxy]phenyl}acetic acid | Formula: | C23 H23 N O3 | SMILES: | c1cccc2ccc(nc12)COc3ccc(cc3)C(C(=O)O)C4CCCC4 | InChi: | InChI=1S/C23H23NO3/c25-23(26)22(17-6-1-2-7-17)18-10-13-20(14-11-18)27-15-19-12-9-16-5-3-4-8-21(16)24-19/h3-5,8-14,17,22H,1-2,6-7,15H2,(H,25,26)/t22-/m1/s1 | Definition date: | 2020-01-14 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | (2R)-cyclopentyl{4-[(quinolin-2-yl)methoxy]phenyl}acetic acid |
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![R9W R9W](https://data.pdbj.org/pdbjplus/data/cc/svg/R9W.svg) | R9W | Name: | 2,3,5,6,7,8-hexahydro-1~{H}-cyclopenta[b]quinolin-9-amine | Formula: | C12 H16 N2 | SMILES: | Nc1c2CCCCc2nc3CCCc13 | InChi: | InChI=1S/C12H16N2/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12/h1-7H2,(H2,13,14) | Definition date: | 2020-09-21 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | 2,3,5,6,7,8-hexahydro-1~{H}-cyclopenta[b]quinolin-9-amine |
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![RMZ RMZ](https://data.pdbj.org/pdbjplus/data/cc/svg/RMZ.svg) | RMZ | Name: | (3~{S})-3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one | Formula: | C22 H27 N3 O | SMILES: | Cc1ccc(cc1C)N2CCN(CC[CH]3NC(=O)c4ccccc34)CC2 | InChi: | InChI=1S/C22H27N3O/c1-16-7-8-18(15-17(16)2)25-13-11-24(12-14-25)10-9-21-19-5-3-4-6-20(19)22(26)23-21/h3-8,15,21H,9-14H2,1-2H3,(H,23,26)/t21-/m0/s1 | Synonyms: | 3-(2-(4-(3,4-Dimethylphenyl)piperazin-1-yl)ethyl)isoindolin-1-one | Definition date: | 2020-10-09 | Last modified: | 2020-11-27 | Release date: | 2020-12-02 | Identifier: | (3~{S})-3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one |
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![W4M W4M](https://data.pdbj.org/pdbjplus/data/cc/svg/W4M.svg) | W4M | Name: | (hydroxy{(1S)-1-(methylsulfanyl)-2-[5-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)-1H-benzotriazol-1-yl]ethyl}amino)methanol | Formula: | C23 H27 N5 O3 S | SMILES: | c2(cc1c(n(CC(SC)N(O)CO)nn1)cc2)C#Cc4ccc(CN3CCOCC3)cc4 | InChi: | InChI=1S/C23H27N5O3S/c1-32-23(28(30)17-29)16-27-22-9-8-19(14-21(22)24-25-27)5-2-18-3-6-20(7-4-18)15-26-10-12-31-13-11-26/h3-4,6-9,14,23,29-30H,10-13,15-17H2,1H3/t23-/m0/s1 | Definition date: | 2020-09-29 | Last modified: | 2020-11-20 | Release date: | 2020-11-25 | Identifier: | (hydroxy{(1S)-1-(methylsulfanyl)-2-[5-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)-1H-benzotriazol-1-yl]ethyl}amino)methanol |
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![FJ0 FJ0](https://data.pdbj.org/pdbjplus/data/cc/svg/FJ0.svg) | FJ0 | Name: | 2-(2-methylpyridin-4-yl)-N-[2-morpholin-4-yl-5-[(3R)-3-oxidanylpyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide | Formula: | C24 H25 N7 O5 | SMILES: | Cc1cc(ccn1)c2occ(n2)C(=O)Nc3cc4oc(nc4nc3N5CC[CH](O)C5)N6CCOCC6 | InChi: | InChI=1S/C24H25N7O5/c1-14-10-15(2-4-25-14)23-27-18(13-35-23)22(33)26-17-11-19-20(28-21(17)31-5-3-16(32)12-31)29-24(36-19)30-6-8-34-9-7-30/h2,4,10-11,13,16,32H,3,5-9,12H2,1H3,(H,26,33)/t16-/m1/s1 | Definition date: | 2020-05-14 | Last modified: | 2020-11-20 | Release date: | 2020-11-25 | Identifier: | 2-(2-methylpyridin-4-yl)-~{N}-[2-morpholin-4-yl-5-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide |
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![FJ9 FJ9](https://data.pdbj.org/pdbjplus/data/cc/svg/FJ9.svg) | FJ9 | Name: | N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-4-yl-pyridine-2-carboxamide | Formula: | C22 H19 N5 O3 | SMILES: | O=C(Nc1ccc2nc(oc2c1)N3CCOCC3)c4cccc(n4)c5ccncc5 | InChi: | InChI=1S/C22H19N5O3/c28-21(19-3-1-2-17(25-19)15-6-8-23-9-7-15)24-16-4-5-18-20(14-16)30-22(26-18)27-10-12-29-13-11-27/h1-9,14H,10-13H2,(H,24,28) | Definition date: | 2020-05-14 | Last modified: | 2020-11-20 | Release date: | 2020-11-25 | Identifier: | ~{N}-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-4-yl-pyridine-2-carboxamide |
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![TKY TKY](https://data.pdbj.org/pdbjplus/data/cc/svg/TKY.svg) | TKY | Name: | 14-{[(3S)-2-(N-methyl-L-alanyl-3-methyl-L-valyl)-3-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-3,6,9,12-tetraoxatetradecan-1-yl (3R)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazol-1-yl}piperidine-1-carboxylate | Formula: | C62 H79 F2 N9 O12 | SMILES: | C(OCCOCCOCCOCCOCCOc4cc1c(CC(N(C(=O)C(NC(C(C)NC)=O)C(C)(C)C)C1)C(=O)NC3c2c(cccc2)CCC3)cc4)(N8CCCC(n7c(c(C(N)=O)c(c6ccc(Oc5ccc(F)cc5F)cc6)n7)N)C8)=O | InChi: | InChI=1S/C62H79F2N9O12/c1-39(67-5)58(75)69-55(62(2,3)4)60(77)72-37-43-34-47(21-17-42(43)35-51(72)59(76)68-50-14-8-11-40-10-6-7-13-48(40)50)83-32-30-81-28-26-79-24-25-80-27-29-82-31-33-84-61(78)71-23-9-12-45(38-71)73-56(65)53(57(66)74)54(70-73)41-15-19-46(20-16-41)85-52-22-18-44(63)36-49(52)64/h6-7,10,13,15-22,34,36,39,45,50-51,55,67H,8-9,11-12,14,23-33,35,37-38,65H2,1-5H3,(H2,66,74)(H,68,76)(H,69,75)/t39-,45+,50+,51-,55+/m0/s1 | Definition date: | 2020-03-24 | Last modified: | 2020-11-13 | Release date: | 2020-11-18 | Identifier: | 14-{[(3S)-2-(N-methyl-L-alanyl-3-methyl-L-valyl)-3-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-3,6,9,12-tetraoxatetradecan-1-yl (3R)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazol-1-yl}piperidine-1-carboxylate |
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![TL7 TL7](https://data.pdbj.org/pdbjplus/data/cc/svg/TL7.svg) | TL7 | Name: | [5-({[(3S)-2-(N-methyl-L-alanyl-3-methyl-L-valyl)-3-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)pyrazin-2-yl]methyl (3R)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazol-1-yl}piperidine-1-carboxylate | Formula: | C58 H65 F2 N11 O8 | SMILES: | c1cccc2C(CCCc12)NC(C3Cc4c(CN3C(C(C(C)(C)C)NC(C(C)NC)=O)=O)cc(cc4)OCc9cnc(COC(N5CCCC(C5)n6c(c(c(n6)c7ccc(cc7)Oc8ccc(F)cc8F)C(N)=O)N)=O)cn9)=O | InChi: | InChI=1S/C58H65F2N11O8/c1-33(63-5)54(73)67-51(58(2,3)4)56(75)70-29-37-24-43(21-17-36(37)25-47(70)55(74)66-46-14-8-11-34-10-6-7-13-44(34)46)77-31-39-27-65-40(28-64-39)32-78-57(76)69-23-9-12-41(30-69)71-52(61)49(53(62)72)50(68-71)35-15-19-42(20-16-35)79-48-22-18-38(59)26-45(48)60/h6-7,10,13,15-22,24,26-28,33,41,46-47,51,63H,8-9,11-12,14,23,25,29-32,61H2,1-5H3,(H2,62,72)(H,66,74)(H,67,73)/t33-,41+,46+,47-,51+/m0/s1 | Definition date: | 2020-03-25 | Last modified: | 2020-11-13 | Release date: | 2020-11-18 | Identifier: | [5-({[(3S)-2-(N-methyl-L-alanyl-3-methyl-L-valyl)-3-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)pyrazin-2-yl]methyl (3R)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazol-1-yl}piperidine-1-carboxylate |
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![WN4 WN4](https://data.pdbj.org/pdbjplus/data/cc/svg/WN4.svg) | WN4 | Name: | N-(6-methylpyridin-2-yl)-L-prolinamide | Formula: | C11 H15 N3 O | SMILES: | C1(CCCN1)C(=O)Nc2cccc(C)n2 | InChi: | InChI=1S/C11H15N3O/c1-8-4-2-6-10(13-8)14-11(15)9-5-3-7-12-9/h2,4,6,9,12H,3,5,7H2,1H3,(H,13,14,15)/t9-/m0/s1 | Definition date: | 2020-10-30 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | N-(6-methylpyridin-2-yl)-L-prolinamide |
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![WJ4 WJ4](https://data.pdbj.org/pdbjplus/data/cc/svg/WJ4.svg) | WJ4 | Name: | 4-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]morpholine | Formula: | C7 H10 Cl N3 O S | SMILES: | n1c(c(Cl)sn1)CN2CCOCC2 | InChi: | InChI=1S/C7H10ClN3OS/c8-7-6(9-10-13-7)5-11-1-3-12-4-2-11/h1-5H2 | Definition date: | 2020-10-30 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | 4-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]morpholine |
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![WKM WKM](https://data.pdbj.org/pdbjplus/data/cc/svg/WKM.svg) | WKM | Name: | (2S)-2-amino-3-methyl-1-(morpholin-4-yl)butan-1-one | Formula: | C9 H18 N2 O2 | SMILES: | C1OCCN(C(C(C(C)C)N)=O)C1 | InChi: | InChI=1S/C9H18N2O2/c1-7(2)8(10)9(12)11-3-5-13-6-4-11/h7-8H,3-6,10H2,1-2H3/t8-/m0/s1 | Definition date: | 2020-10-30 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | (2S)-2-amino-3-methyl-1-(morpholin-4-yl)butan-1-one |
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![Q6K Q6K](https://data.pdbj.org/pdbjplus/data/cc/svg/Q6K.svg) | Q6K | Name: | ~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide | Formula: | C28 H35 N7 O2 | SMILES: | CCC(=O)Nc1cc(Nc2nccc(n2)c3cn(C)c4ccccc34)c(OC)cc1N(C)CCN(C)C | InChi: | InChI=1S/C28H35N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h8-13,16-18H,7,14-15H2,1-6H3,(H,30,36)(H,29,31,32) | Definition date: | 2020-05-25 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | ~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide |
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![W4D W4D](https://data.pdbj.org/pdbjplus/data/cc/svg/W4D.svg) | W4D | Name: | 3-benzyl-6-(1H-pyrazol-4-yl)quinazolin-4(3H)-one | Formula: | C18 H14 N4 O | SMILES: | c1ccc(cc1)CN3C=Nc2ccc(cc2C3=O)c4cnnc4 | InChi: | InChI=1S/C18H14N4O/c23-18-16-8-14(15-9-20-21-10-15)6-7-17(16)19-12-22(18)11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,20,21) | Definition date: | 2020-09-27 | Last modified: | 2020-10-23 | Release date: | 2020-10-28 | Identifier: | 3-benzyl-6-(1H-pyrazol-4-yl)quinazolin-4(3H)-one |
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![W4G W4G](https://data.pdbj.org/pdbjplus/data/cc/svg/W4G.svg) | W4G | Name: | 3-benzyl-7-(1H-pyrazol-4-yl)quinazolin-4(3H)-one | Formula: | C18 H14 N4 O | SMILES: | C3(c2ccc(c1cnnc1)cc2N=CN3Cc4ccccc4)=O | InChi: | InChI=1S/C18H14N4O/c23-18-16-7-6-14(15-9-20-21-10-15)8-17(16)19-12-22(18)11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,20,21) | Definition date: | 2020-09-28 | Last modified: | 2020-10-23 | Release date: | 2020-10-28 | Identifier: | 3-benzyl-7-(1H-pyrazol-4-yl)quinazolin-4(3H)-one |
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![95F 95F](https://data.pdbj.org/pdbjplus/data/cc/svg/95F.svg) | 95F | Name: | 5-ethyl-4-methyl-6-(morpholin-4-yl)pyrimidin-2-amine | Formula: | C11 H18 N4 O | SMILES: | c2(nc(N1CCOCC1)c(c(n2)C)CC)N | InChi: | InChI=1S/C11H18N4O/c1-3-9-8(2)13-11(12)14-10(9)15-4-6-16-7-5-15/h3-7H2,1-2H3,(H2,12,13,14) | Definition date: | 2017-12-22 | Last modified: | 2020-10-23 | Release date: | 2020-10-28 | Identifier: | 5-ethyl-4-methyl-6-(morpholin-4-yl)pyrimidin-2-amine |
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![95R 95R](https://data.pdbj.org/pdbjplus/data/cc/svg/95R.svg) | 95R | Name: | (4R)-4-(2-methoxyphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione | Formula: | C16 H17 N O3 | SMILES: | N3C1=C(C(CCC1)=O)C(c2ccccc2OC)CC3=O | InChi: | InChI=1S/C16H17NO3/c1-20-14-8-3-2-5-10(14)11-9-15(19)17-12-6-4-7-13(18)16(11)12/h2-3,5,8,11H,4,6-7,9H2,1H3,(H,17,19)/t11-/m1/s1 | Definition date: | 2017-12-22 | Last modified: | 2020-10-23 | Release date: | 2020-10-28 | Identifier: | (4R)-4-(2-methoxyphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione |
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![CJ0 CJ0](https://data.pdbj.org/pdbjplus/data/cc/svg/CJ0.svg) | CJ0 | Name: | N4-methyl-6-morpholin-4-yl-pyrimidine-2,4-diamine | Formula: | C9 H15 N5 O | SMILES: | CNc1cc(nc(N)n1)N2CCOCC2 | InChi: | InChI=1S/C9H15N5O/c1-11-7-6-8(13-9(10)12-7)14-2-4-15-5-3-14/h6H,2-5H2,1H3,(H3,10,11,12,13) | Definition date: | 2019-04-24 | Last modified: | 2020-10-23 | Release date: | 2020-10-28 | Identifier: | ~{N}4-methyl-6-morpholin-4-yl-pyrimidine-2,4-diamine |
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![CJF CJF](https://data.pdbj.org/pdbjplus/data/cc/svg/CJF.svg) | CJF | Name: | N4-cyclopropyl-6-morpholin-4-yl-pyrimidine-2,4-diamine | Formula: | C11 H17 N5 O | SMILES: | Nc1nc(NC2CC2)cc(n1)N3CCOCC3 | InChi: | InChI=1S/C11H17N5O/c12-11-14-9(13-8-1-2-8)7-10(15-11)16-3-5-17-6-4-16/h7-8H,1-6H2,(H3,12,13,14,15) | Definition date: | 2019-04-24 | Last modified: | 2020-10-23 | Release date: | 2020-10-28 | Identifier: | ~{N}4-cyclopropyl-6-morpholin-4-yl-pyrimidine-2,4-diamine |
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![R6H R6H](https://data.pdbj.org/pdbjplus/data/cc/svg/R6H.svg) | R6H | Name: | ~{N}-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoranyl-phenyl]-4-ethoxy-1-(4-fluoranyl-2-methyl-phenyl)pyrazole-3-carboxamide | Formula: | C30 H26 F2 N4 O5 | SMILES: | CCOc1cn(nc1C(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)c(F)c2)c5ccc(F)cc5C | InChi: | InChI=1S/C30H26F2N4O5/c1-5-40-28-16-36(23-8-6-18(31)12-17(23)2)35-29(28)30(37)34-19-7-9-25(21(32)13-19)41-24-10-11-33-22-15-27(39-4)26(38-3)14-20(22)24/h6-16H,5H2,1-4H3,(H,34,37) | Definition date: | 2020-09-07 | Last modified: | 2020-10-23 | Release date: | 2020-10-28 | Identifier: | ~{N}-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoranyl-phenyl]-4-ethoxy-1-(4-fluoranyl-2-methyl-phenyl)pyrazole-3-carboxamide |
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![YO3 YO3](https://data.pdbj.org/pdbjplus/data/cc/svg/YO3.svg) | YO3 | Name: | YO3-biotin | Formula: | C21 H19 N2 O | SMILES: | CN2C=CC(c1c2cccc1)=[C@H][C@H]=[C@H]c3[n+](c4c(o3)cccc4)C | InChi: | InChI=1S/C21H19N2O/c1-22-15-14-16(17-9-3-4-10-18(17)22)8-7-13-21-23(2)19-11-5-6-12-20(19)24-21/h3-15H,1-2H3/q+1 | Synonyms: | 3-methyl-2-[(1E,3E)-3-(1-methylquinolin-4(1H)-ylidene)prop-1-en-1-yl]-1,3-benzoxazol-3-ium | Definition date: | 2019-10-17 | Last modified: | 2020-10-16 | Release date: | 2020-10-21 | Identifier: | 3-methyl-2-[(1E,3E)-3-(1-methylquinolin-4(1H)-ylidene)prop-1-en-1-yl]-1,3-benzoxazol-3-ium |
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![VU7 VU7](https://data.pdbj.org/pdbjplus/data/cc/svg/VU7.svg) | VU7 | Name: | 6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-N-methoxy-3-methylquinoline-4-carboxamide | Formula: | C24 H18 F2 N2 O2 | SMILES: | CONC(=O)c1c(C)c(nc2c1cc(cc2)F)c4ccc(c3c(cccc3)F)cc4 | InChi: | InChI=1S/C24H18F2N2O2/c1-14-22(24(29)28-30-2)19-13-17(25)11-12-21(19)27-23(14)16-9-7-15(8-10-16)18-5-3-4-6-20(18)26/h3-13H,1-2H3,(H,28,29) | Definition date: | 2020-09-15 | Last modified: | 2020-10-16 | Release date: | 2020-10-21 | Identifier: | 6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-N-methoxy-3-methylquinoline-4-carboxamide |
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![RQ7 RQ7](https://data.pdbj.org/pdbjplus/data/cc/svg/RQ7.svg) | RQ7 | Name: | 6-{8-[(1,3-benzothiazol-2-yl)carbamoyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-{1-[(pyridin-4-yl)methyl]-1H-pyrazol-4-yl}pyridine-2-carboxylic acid | Formula: | C32 H25 N7 O3 S | SMILES: | N4(c1nc(c(cc1)c2cn(nc2)Cc3ccncc3)C(=O)O)Cc5c(CC4)cccc5C(=O)Nc6nc7c(s6)cccc7 | InChi: | InChI=1S/C32H25N7O3S/c40-30(37-32-35-26-6-1-2-7-27(26)43-32)24-5-3-4-21-12-15-38(19-25(21)24)28-9-8-23(29(36-28)31(41)42)22-16-34-39(18-22)17-20-10-13-33-14-11-20/h1-11,13-14,16,18H,12,15,17,19H2,(H,41,42)(H,35,37,40) | Definition date: | 2020-02-20 | Last modified: | 2020-10-16 | Release date: | 2020-10-21 | Identifier: | 6-{8-[(1,3-benzothiazol-2-yl)carbamoyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-{1-[(pyridin-4-yl)methyl]-1H-pyrazol-4-yl}pyridine-2-carboxylic acid |
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![S7V S7V](https://data.pdbj.org/pdbjplus/data/cc/svg/S7V.svg) | S7V | Name: | [(2~{R})-4-(phenylmethyl)morpholin-2-yl]methanol | Formula: | C12 H17 N O2 | SMILES: | c1(ccccc1)CN2CCOC(CO)C2 | InChi: | InChI=1S/C12H17NO2/c14-10-12-9-13(6-7-15-12)8-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2/t12-/m1/s1 | Definition date: | 2020-03-05 | Last modified: | 2020-10-09 | Release date: | 2020-04-15 | Identifier: | [(2R)-4-benzylmorpholin-2-yl]methanol |
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![FKR FKR](https://data.pdbj.org/pdbjplus/data/cc/svg/FKR.svg) | FKR | Name: | 4-[[6-fluoranyl-8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid | Formula: | C18 H14 F N3 O4 | SMILES: | CNc1cc(F)cc2C=C(C(=O)Nc3ccc(cc3)C(O)=O)C(=O)Nc12 | InChi: | InChI=1S/C18H14FN3O4/c1-20-14-8-11(19)6-10-7-13(17(24)22-15(10)14)16(23)21-12-4-2-9(3-5-12)18(25)26/h2-8,20H,1H3,(H,21,23)(H,22,24)(H,25,26) | Definition date: | 2020-05-29 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | 4-[[6-fluoranyl-8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid |
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![FKU FKU](https://data.pdbj.org/pdbjplus/data/cc/svg/FKU.svg) | FKU | Name: | 4-[[4-(3-azanylpropylamino)-6-fluoranyl-8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid | Formula: | C21 H22 F N5 O4 | SMILES: | CNc1cc(F)cc2c1NC(=O)C(=C2NCCCN)C(=O)Nc3ccc(cc3)C(O)=O | InChi: | InChI=1S/C21H22FN5O4/c1-24-15-10-12(22)9-14-17(15)27-20(29)16(18(14)25-8-2-7-23)19(28)26-13-5-3-11(4-6-13)21(30)31/h3-6,9-10,24H,2,7-8,23H2,1H3,(H,26,28)(H,30,31)(H2,25,27,29) | Definition date: | 2020-05-29 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | 4-[[4-(3-azanylpropylamino)-6-fluoranyl-8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid |
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