![9G1 9G1](https://data.pdbj.org/pdbjplus/data/cc/svg/9G1.svg) | 9G1 | Name: | [(4~{S})-3-aminocarbonyl-1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]piperidin-4-yl]-tris(3-hydroxy-3-oxopropyl)phosphanium | Formula: | C30 H48 N7 O23 P4 | SMILES: | NC(=O)[CH]1CN(CC[CH]1[P+](CCC(O)=O)(CCC(O)=O)CCC(O)=O)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O | InChi: | InChI=1S/C30H47N7O23P4/c31-26-21-28(34-12-33-26)37(13-35-21)30-25(59-62(48,49)50)23(45)16(58-30)11-56-64(53,54)60-63(51,52)55-10-15-22(44)24(46)29(57-15)36-5-1-17(14(9-36)27(32)47)61(6-2-18(38)39,7-3-19(40)41)8-4-20(42)43/h12-17,22-25,29-30,44-46H,1-11H2,(H10-,31,32,33,34,38,39,40,41,42,43,47,48,49,50,51,52,53,54)/p+1/t14-,15+,16+,17-,22+,23+,24+,25+,29+,30+/m0/s1 | Definition date: | 2017-05-09 | Last modified: | 2017-05-19 | Release date: | 2017-05-24 | Identifier: | [(4~{S})-3-aminocarbonyl-1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]piperidin-4-yl]-tris(3-hydroxy-3-oxopropyl)phosphanium |
|
![DZ5 DZ5](https://data.pdbj.org/pdbjplus/data/cc/svg/DZ5.svg) | DZ5 | Name: | (2Z)-3-(4-fluorophenyl)-2-sulfanylprop-2-enoic acid | Formula: | C9 H7 F O2 S | SMILES: | O=C(O)C(=Cc1ccc(cc1)F)S | InChi: | InChI=1S/C9H7FO2S/c10-7-3-1-6(2-4-7)5-8(13)9(11)12/h1-5,13H,(H,11,12)/b8-5- | Definition date: | 2016-04-30 | Last modified: | 2017-05-19 | Release date: | 2017-05-24 | Identifier: | (2Z)-3-(4-fluorophenyl)-2-sulfanylprop-2-enoic acid |
|
![4IH 4IH](https://data.pdbj.org/pdbjplus/data/cc/svg/4IH.svg) | 4IH | Name: | ~{N}-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propyl]methanesulfonamide | Formula: | C17 H21 Cl N2 O2 S | SMILES: | C[S](=O)(=O)NCCCNCc1ccc(c(Cl)c1)c2ccccc2 | InChi: | InChI=1S/C17H21ClN2O2S/c1-23(21,22)20-11-5-10-19-13-14-8-9-16(17(18)12-14)15-6-3-2-4-7-15/h2-4,6-9,12,19-20H,5,10-11,13H2,1H3 | Definition date: | 2016-12-14 | Last modified: | 2017-05-19 | Release date: | 2017-05-24 | Identifier: | ~{N}-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propyl]methanesulfonamide |
|
![H83 H83](https://data.pdbj.org/pdbjplus/data/cc/svg/H83.svg) | H83 | Name: | ~{N}'-[(3-chloranyl-4-phenyl-phenyl)methyl]butane-1,4-diamine | Formula: | C17 H21 Cl N2 | SMILES: | NCCCCNCc1ccc(c(Cl)c1)c2ccccc2 | InChi: | InChI=1S/C17H21ClN2/c18-17-12-14(13-20-11-5-4-10-19)8-9-16(17)15-6-2-1-3-7-15/h1-3,6-9,12,20H,4-5,10-11,13,19H2 | Definition date: | 2016-12-12 | Last modified: | 2017-05-19 | Release date: | 2017-05-24 | Identifier: | ~{N}'-[(3-chloranyl-4-phenyl-phenyl)methyl]butane-1,4-diamine |
|
![J2P J2P](https://data.pdbj.org/pdbjplus/data/cc/svg/J2P.svg) | J2P | Name: | (3-chloranyl-4-phenyl-phenyl)methyl-ethyl-azanium | Formula: | C15 H17 Cl N | SMILES: | CC[NH2+]Cc1ccc(c(Cl)c1)c2ccccc2 | InChi: | InChI=1S/C15H16ClN/c1-2-17-11-12-8-9-14(15(16)10-12)13-6-4-3-5-7-13/h3-10,17H,2,11H2,1H3/p+1 | Definition date: | 2016-12-16 | Last modified: | 2017-05-19 | Release date: | 2017-05-24 | Identifier: | (3-chloranyl-4-phenyl-phenyl)methyl-ethyl-azanium |
|
![7WR 7WR](https://data.pdbj.org/pdbjplus/data/cc/svg/7WR.svg) | 7WR | Name: | 3-methoxy-4,5-bis(oxidanyl)benzoic acid | Formula: | C8 H8 O5 | SMILES: | COc1cc(cc(O)c1O)C(O)=O | InChi: | InChI=1S/C8H8O5/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,9-10H,1H3,(H,11,12) | Definition date: | 2017-01-30 | Last modified: | 2017-05-12 | Release date: | 2017-05-17 | Identifier: | 3-methoxy-4,5-bis(oxidanyl)benzoic acid |
|
![84J 84J](https://data.pdbj.org/pdbjplus/data/cc/svg/84J.svg) | 84J | Name: | [(R)-{[(1S)-1-(4-bromophenyl)ethyl]amino}(2,3-dihydroxyquinoxalin-5-yl)methyl]phosphonic acid | Formula: | C17 H17 Br N3 O5 P | SMILES: | C(c1ccc(Br)cc1)(C)NC(c2cccc3c2nc(c(n3)O)O)P(=O)(O)O | InChi: | InChI=1S/C17H17BrN3O5P/c1-9(10-5-7-11(18)8-6-10)19-17(27(24,25)26)12-3-2-4-13-14(12)21-16(23)15(22)20-13/h2-9,17,19H,1H3,(H,20,22)(H,21,23)(H2,24,25,26)/t9-,17+/m0/s1 | Definition date: | 2016-12-23 | Last modified: | 2017-05-12 | Release date: | 2017-05-17 | Identifier: | [(R)-{[(1S)-1-(4-bromophenyl)ethyl]amino}(2,3-dihydroxyquinoxalin-5-yl)methyl]phosphonic acid |
|
![85V 85V](https://data.pdbj.org/pdbjplus/data/cc/svg/85V.svg) | 85V | Name: | 1,4:3,6-dianhydro-2-O-(6-chloro-5-{4-[1-(hydroxymethyl)cyclopropyl]phenyl}-1H-benzimidazol-2-yl)-D-mannitol | Formula: | C23 H23 Cl N2 O5 | SMILES: | c6c(C1(CO)CC1)ccc(c2c(cc3c(c2)nc(n3)OC5C4C(C(CO4)O)OC5)Cl)c6 | InChi: | InChI=1S/C23H23ClN2O5/c24-15-8-17-16(7-14(15)12-1-3-13(4-2-12)23(11-27)5-6-23)25-22(26-17)31-19-10-30-20-18(28)9-29-21(19)20/h1-4,7-8,18-21,27-28H,5-6,9-11H2,(H,25,26)/t18-,19-,20-,21-/m1/s1 | Definition date: | 2017-01-06 | Last modified: | 2017-05-12 | Release date: | 2017-05-17 | Identifier: | 1,4:3,6-dianhydro-2-O-(6-chloro-5-{4-[1-(hydroxymethyl)cyclopropyl]phenyl}-1H-benzimidazol-2-yl)-D-mannitol |
|
![KB1 KB1](https://data.pdbj.org/pdbjplus/data/cc/svg/KB1.svg) | KB1 | Name: | 5'-{[(3S)-3-amino-3-carboxypropyl][(4-fluorophenyl)methyl]amino}-5'-deoxyadenosine | Formula: | C21 H26 F N7 O5 | SMILES: | Nc1ncnc2n(cnc12)C3OC(C(C3O)O)CN(Cc4ccc(cc4)F)CCC(N)C(O)=O | InChi: | InChI=1S/C21H26FN7O5/c22-12-3-1-11(2-4-12)7-28(6-5-13(23)21(32)33)8-14-16(30)17(31)20(34-14)29-10-27-15-18(24)25-9-26-19(15)29/h1-4,9-10,13-14,16-17,20,30-31H,5-8,23H2,(H,32,33)(H2,24,25,26)/t13-,14+,16+,17+,20+/m0/s1 | Definition date: | 2017-02-09 | Last modified: | 2017-05-12 | Release date: | 2017-05-17 | Identifier: | 5'-{[(3S)-3-amino-3-carboxypropyl][(4-fluorophenyl)methyl]amino}-5'-deoxyadenosine |
|
![7O3 7O3](https://data.pdbj.org/pdbjplus/data/cc/svg/7O3.svg) | 7O3 | Name: | 2-chloranyl-~{N}-[4-[(2-chloranyl-5-oxidanyl-phenyl)amino]quinazolin-7-yl]ethanamide | Formula: | C16 H12 Cl2 N4 O2 | SMILES: | Oc1ccc(Cl)c(Nc2ncnc3cc(NC(=O)CCl)ccc23)c1 | InChi: | InChI=1S/C16H12Cl2N4O2/c17-7-15(24)21-9-1-3-11-13(5-9)19-8-20-16(11)22-14-6-10(23)2-4-12(14)18/h1-6,8,23H,7H2,(H,21,24)(H,19,20,22) | Definition date: | 2016-12-01 | Last modified: | 2017-05-12 | Release date: | 2017-05-17 | Identifier: | 2-chloranyl-~{N}-[4-[(2-chloranyl-5-oxidanyl-phenyl)amino]quinazolin-7-yl]ethanamide |
|
![6GG 6GG](https://data.pdbj.org/pdbjplus/data/cc/svg/6GG.svg) | 6GG | Name: | 4-({6-[(6-chloro-3-{1-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)-1H-imidazol-5-yl}-1H-indole-2-carbonyl)oxy]hexyl}amino)-4-oxobutanoic acid | Formula: | C35 H33 Cl2 F N4 O5 | SMILES: | O=C(O)CCC(NCCCCCCOC(c2nc1cc(Cl)ccc1c2c4n(Cc3ccc(Cl)cc3)cnc4c5ccc(F)cc5)=O)=O | InChi: | InChI=1S/C35H33Cl2FN4O5/c36-24-9-5-22(6-10-24)20-42-21-40-32(23-7-12-26(38)13-8-23)34(42)31-27-14-11-25(37)19-28(27)41-33(31)35(46)47-18-4-2-1-3-17-39-29(43)15-16-30(44)45/h5-14,19,21,41H,1-4,15-18,20H2,(H,39,43)(H,44,45) | Definition date: | 2016-04-06 | Last modified: | 2017-05-12 | Release date: | 2017-05-17 | Identifier: | 4-({6-[(6-chloro-3-{1-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)-1H-imidazol-5-yl}-1H-indole-2-carbonyl)oxy]hexyl}amino)-4-oxobutanoic acid |
|
![6NU 6NU](https://data.pdbj.org/pdbjplus/data/cc/svg/6NU.svg) | 6NU | Name: | (3~{R})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclobutyl)propanoic acid | Formula: | C19 H19 F2 N5 O2 | SMILES: | CC1(CCC1)[CH](CC(O)=O)Nc2nc(ncc2F)c3c[nH]c4ncc(F)cc34 | InChi: | InChI=1S/C19H19F2N5O2/c1-19(3-2-4-19)14(6-15(27)28)25-18-13(21)9-24-17(26-18)12-8-23-16-11(12)5-10(20)7-22-16/h5,7-9,14H,2-4,6H2,1H3,(H,22,23)(H,27,28)(H,24,25,26)/t14-/m1/s1 | Definition date: | 2016-05-11 | Last modified: | 2017-05-12 | Release date: | 2017-05-17 | Identifier: | (3~{R})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclobutyl)propanoic acid |
|
![6OL 6OL](https://data.pdbj.org/pdbjplus/data/cc/svg/6OL.svg) | 6OL | Name: | methylarsonous acid | Formula: | C H5 As O2 | SMILES: | C[As](O)O | InChi: | InChI=1S/CH5AsO2/c1-2(3)4/h3-4H,1H3 | Definition date: | 2016-05-13 | Last modified: | 2017-05-12 | Release date: | 2017-05-17 | Identifier: | methylarsonous acid |
|
![Q9Y Q9Y](https://data.pdbj.org/pdbjplus/data/cc/svg/Q9Y.svg) | Q9Y | Name: | ~{N}-methyl-3-(3-methylbutyl)-5-oxidanyl-1,2,3-triazole-4-carboxamide | Formula: | C9 H16 N4 O2 | SMILES: | CNC(=O)c1n(CCC(C)C)nnc1O | InChi: | InChI=1S/C9H16N4O2/c1-6(2)4-5-13-7(8(14)10-3)9(15)11-12-13/h6,15H,4-5H2,1-3H3,(H,10,14) | Definition date: | 2016-12-25 | Last modified: | 2017-05-12 | Release date: | 2017-05-17 | Identifier: | ~{N}-methyl-3-(3-methylbutyl)-5-oxidanyl-1,2,3-triazole-4-carboxamide |
|
![Q9Z Q9Z](https://data.pdbj.org/pdbjplus/data/cc/svg/Q9Z.svg) | Q9Z | Name: | 3-(3-methylbutyl)-4~{H}-1,2,3-triazol-5-one | Formula: | C7 H13 N3 O | SMILES: | CC(C)CCN1CC(=O)N=N1 | InChi: | InChI=1S/C7H13N3O/c1-6(2)3-4-10-5-7(11)8-9-10/h6H,3-5H2,1-2H3 | Definition date: | 2016-12-25 | Last modified: | 2017-05-12 | Release date: | 2017-05-17 | Identifier: | 3-(3-methylbutyl)-4~{H}-1,2,3-triazol-5-one |
|
![R38 R38](https://data.pdbj.org/pdbjplus/data/cc/svg/R38.svg) | R38 | Name: | (2~{R})-3-(1~{H}-indol-3-yl)-2-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]propanoic acid | Formula: | C15 H18 N2 O3 S | SMILES: | C[CH](CS)C(=O)N[CH](Cc1c[nH]c2ccccc12)C(O)=O | InChi: | InChI=1S/C15H18N2O3S/c1-9(8-21)14(18)17-13(15(19)20)6-10-7-16-12-5-3-2-4-11(10)12/h2-5,7,9,13,16,21H,6,8H2,1H3,(H,17,18)(H,19,20)/t9-,13-/m1/s1 | Definition date: | 2017-02-12 | Last modified: | 2017-05-12 | Release date: | 2017-05-17 | Identifier: | (2~{R})-3-(1~{H}-indol-3-yl)-2-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]propanoic acid |
|
![R59 R59](https://data.pdbj.org/pdbjplus/data/cc/svg/R59.svg) | R59 | Name: | (2~{S})-3-(1~{H}-indol-3-yl)-2-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]propanoic acid | Formula: | C15 H18 N2 O3 S | SMILES: | C[CH](CS)C(=O)N[CH](Cc1c[nH]c2ccccc12)C(O)=O | InChi: | InChI=1S/C15H18N2O3S/c1-9(8-21)14(18)17-13(15(19)20)6-10-7-16-12-5-3-2-4-11(10)12/h2-5,7,9,13,16,21H,6,8H2,1H3,(H,17,18)(H,19,20)/t9-,13+/m1/s1 | Definition date: | 2017-02-12 | Last modified: | 2017-05-12 | Release date: | 2017-05-17 | Identifier: | (2~{S})-3-(1~{H}-indol-3-yl)-2-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]propanoic acid |
|
![8OZ 8OZ](https://data.pdbj.org/pdbjplus/data/cc/svg/8OZ.svg) | 8OZ | Name: | 2-Phenylacrylic acid | Formula: | C9 H8 O2 | SMILES: | OC(=O)C(=C)c1ccccc1 | InChi: | InChI=1S/C9H8O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-6H,1H2,(H,10,11) | Definition date: | 2017-02-15 | Last modified: | 2017-05-12 | Release date: | 2017-05-17 | Identifier: | 2-phenylprop-2-enoic acid |
|
![8QV 8QV](https://data.pdbj.org/pdbjplus/data/cc/svg/8QV.svg) | 8QV | Name: | (5S)-3-(3,6-dihydro-2H-pyran-4-yl)-7-[5-(prop-1-yn-1-yl)pyridin-3-yl]-5'H-spiro[1-benzopyrano[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine | Formula: | C27 H22 N4 O3 | SMILES: | C=1COCCC=1c2ncc3Oc5c(C4(c3c2)COC(=N4)N)cc(cc5)c6cncc(c6)C#CC | InChi: | InChI=1S/C27H22N4O3/c1-2-3-17-10-20(14-29-13-17)19-4-5-24-21(11-19)27(16-33-26(28)31-27)22-12-23(30-15-25(22)34-24)18-6-8-32-9-7-18/h4-6,10-15H,7-9,16H2,1H3,(H2,28,31)/t27-/m0/s1 | Definition date: | 2017-03-02 | Last modified: | 2017-05-12 | Release date: | 2017-05-17 | Identifier: | (5S)-3-(3,6-dihydro-2H-pyran-4-yl)-7-[5-(prop-1-yn-1-yl)pyridin-3-yl]-5'H-spiro[1-benzopyrano[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine |
|
![89A 89A](https://data.pdbj.org/pdbjplus/data/cc/svg/89A.svg) | 89A | Name: | 2-[[(2R)-2-[[(1R,2S,3R,4R,5R)-4-acetamido-2-oxidanyl-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanoyl]amino]propanamide | Formula: | C14 H23 N3 O7 | SMILES: | C[CH](NC(=O)[CH](C)O[CH]1[CH](O)[CH]2CO[CH](O2)[CH]1NC(C)=O)C(N)=O | InChi: | InChI=1S/C14H23N3O7/c1-5(12(15)20)16-13(21)6(2)23-11-9(17-7(3)18)14-22-4-8(24-14)10(11)19/h5-6,8-11,14,19H,4H2,1-3H3,(H2,15,20)(H,16,21)(H,17,18)/t5-,6+,8+,9+,10+,11+,14+/m0/s1 | Definition date: | 2016-04-30 | Last modified: | 2017-05-12 | Release date: | 2017-05-17 | Identifier: | 2-[[(2R)-2-[[(1R,2S,3R,4R,5R)-4-acetamido-2-oxidanyl-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanoyl]amino]propanamide |
|
![8D7 8D7](https://data.pdbj.org/pdbjplus/data/cc/svg/8D7.svg) | 8D7 | Name: | (1R)-3-amino-1-{3-[(2-propylpentyl)oxy]phenyl}propan-1-ol | Formula: | C17 H29 N O2 | SMILES: | c1c(cccc1C(O)CCN)OCC(CCC)CCC | InChi: | InChI=1S/C17H29NO2/c1-3-6-14(7-4-2)13-20-16-9-5-8-15(12-16)17(19)10-11-18/h5,8-9,12,14,17,19H,3-4,6-7,10-11,13,18H2,1-2H3/t17-/m1/s1 | Definition date: | 2017-01-24 | Last modified: | 2017-05-12 | Release date: | 2017-05-17 | Identifier: | (1R)-3-amino-1-{3-[(2-propylpentyl)oxy]phenyl}propan-1-ol |
|
![8E4 8E4](https://data.pdbj.org/pdbjplus/data/cc/svg/8E4.svg) | 8E4 | Name: | (3S)-3-({3-[(1R)-3-amino-1-hydroxypropyl]phenoxy}methyl)hexan-1-ol | Formula: | C16 H27 N O3 | SMILES: | C(CC(CCO)COc1cccc(c1)C(CCN)O)C | InChi: | InChI=1S/C16H27NO3/c1-2-4-13(8-10-18)12-20-15-6-3-5-14(11-15)16(19)7-9-17/h3,5-6,11,13,16,18-19H,2,4,7-10,12,17H2,1H3/t13-,16+/m0/s1 | Definition date: | 2017-01-26 | Last modified: | 2017-05-12 | Release date: | 2017-05-17 | Identifier: | (3S)-3-({3-[(1R)-3-amino-1-hydroxypropyl]phenoxy}methyl)hexan-1-ol |
|
![8FV 8FV](https://data.pdbj.org/pdbjplus/data/cc/svg/8FV.svg) | 8FV | Name: | 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-4-(quinolin-4-yl)-9H-pyrimido[4,5-b]indole | Formula: | C26 H21 N5 O2 | SMILES: | Cc6c(c3c(OC)cc2c1c(nc(nc1nc2c3)C)c5ccnc4ccccc45)c(C)no6 | InChi: | InChI=1S/C26H21N5O2/c1-13-23(14(2)33-31-13)19-11-21-18(12-22(19)32-4)24-25(28-15(3)29-26(24)30-21)17-9-10-27-20-8-6-5-7-16(17)20/h5-12H,1-4H3,(H,28,29,30) | Definition date: | 2017-02-02 | Last modified: | 2017-05-12 | Release date: | 2017-05-17 | Identifier: | 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-4-(quinolin-4-yl)-9H-pyrimido[4,5-b]indole |
|
![8GN 8GN](https://data.pdbj.org/pdbjplus/data/cc/svg/8GN.svg) | 8GN | Name: | ~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[(3~{R})-3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanamide | Formula: | C24 H29 N9 O | SMILES: | CN(C)[CH]1CCN(C1)c2ccc(Nc3cc(NC4CC4)n5ncc(C#N)c5n3)cc2NC(C)=O | InChi: | InChI=1S/C24H29N9O/c1-15(34)27-20-10-18(6-7-21(20)32-9-8-19(14-32)31(2)3)28-22-11-23(29-17-4-5-17)33-24(30-22)16(12-25)13-26-33/h6-7,10-11,13,17,19,29H,4-5,8-9,14H2,1-3H3,(H,27,34)(H,28,30)/t19-/m1/s1 | Definition date: | 2017-02-06 | Last modified: | 2017-05-12 | Release date: | 2017-05-17 | Identifier: | ~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[(3~{R})-3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanamide |
|
![8GQ 8GQ](https://data.pdbj.org/pdbjplus/data/cc/svg/8GQ.svg) | 8GQ | Name: | pyrazolo-pyrimidine macrocycle | Formula: | C25 H25 N7 O4 | SMILES: | OC[CH]1C[CH]2C[N]1c3cc(Nc4cc5CCC(=O)Nc5c(OCC=CCO2)c4)n6ncc(C#N)c6n3 | InChi: | InChI=1S/C25H25N7O4/c26-11-16-12-27-32-22-10-21(29-25(16)32)31-13-19(9-18(31)14-33)35-5-1-2-6-36-20-8-17(28-22)7-15-3-4-23(34)30-24(15)20/h1-2,7-8,10,12,18-19,28,33H,3-6,9,13-14H2,(H,30,34)/b2-1+/t18-,19-/m0/s1 | Definition date: | 2017-02-06 | Last modified: | 2017-05-12 | Release date: | 2017-05-17 |
|