![7BI 7BI](https://data.pdbj.org/pdbjplus/data/cc/svg/7BI.svg) | 7BI | Name: | dimethyl-[(Z)-3,4,5-tris(oxidanyl)-5-oxidanylidene-pent-3-enyl]sulfanium | Formula: | C7 H13 O4 S | SMILES: | C[S+](C)CCC(O)=C(O)C(O)=O | InChi: | InChI=1S/C7H12O4S/c1-12(2)4-3-5(8)6(9)7(10)11/h3-4H2,1-2H3,(H2-,8,9,10,11)/p+1/b6-5- | Definition date: | 2021-08-04 | Last modified: | 2022-08-05 | Release date: | 2022-08-10 | Identifier: | dimethyl-[(~{Z})-3,4,5-tris(oxidanyl)-5-oxidanylidene-pent-3-enyl]sulfanium |
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![7FI 7FI](https://data.pdbj.org/pdbjplus/data/cc/svg/7FI.svg) | 7FI | Name: | (2R,3R)-6-methyl-2,3-bis(oxidanyl)heptanoic acid | Formula: | C8 H16 O4 | SMILES: | CC(C)CC[CH](O)[CH](O)C(O)=O | InChi: | InChI=1S/C8H16O4/c1-5(2)3-4-6(9)7(10)8(11)12/h5-7,9-10H,3-4H2,1-2H3,(H,11,12)/t6-,7-/m1/s1 | Synonyms: | 2R,3R-2,3-dihydroxy-6-methyl-heptanoate | Definition date: | 2021-08-04 | Last modified: | 2022-08-05 | Release date: | 2022-08-10 | Identifier: | (2~{R},3~{R})-6-methyl-2,3-bis(oxidanyl)heptanoic acid |
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![7I3 7I3](https://data.pdbj.org/pdbjplus/data/cc/svg/7I3.svg) | 7I3 | Name: | (Z)-6-methyl-2,3-bis(oxidanyl)hept-2-enoic acid | Formula: | C8 H14 O4 | SMILES: | CC(C)CCC(O)=C(O)C(O)=O | InChi: | InChI=1S/C8H14O4/c1-5(2)3-4-6(9)7(10)8(11)12/h5,9-10H,3-4H2,1-2H3,(H,11,12)/b7-6- | Synonyms: | (Z)-2,3-dihydroxy-6-methyl-hept-2-enoate | Definition date: | 2021-08-04 | Last modified: | 2022-08-05 | Release date: | 2022-08-10 | Identifier: | (~{Z})-6-methyl-2,3-bis(oxidanyl)hept-2-enoic acid |
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![5E3 5E3](https://data.pdbj.org/pdbjplus/data/cc/svg/5E3.svg) | 5E3 | Name: | ~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide | Formula: | C17 H18 N2 O5 S | SMILES: | CCc1noc2cc(OC)c(N[S](=O)(=O)c3ccccc3OC)cc12 | InChi: | InChI=1S/C17H18N2O5S/c1-4-12-11-9-13(16(23-3)10-15(11)24-18-12)19-25(20,21)17-8-6-5-7-14(17)22-2/h5-10,19H,4H2,1-3H3 | Definition date: | 2021-08-17 | Last modified: | 2022-08-05 | Release date: | 2022-08-10 | Identifier: | ~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide |
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![5I2 5I2](https://data.pdbj.org/pdbjplus/data/cc/svg/5I2.svg) | 5I2 | Name: | naphthalen-1-amine | Formula: | C10 H9 N | SMILES: | Nc1cccc2ccccc12 | InChi: | InChI=1S/C10H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,11H2 | Definition date: | 2021-08-17 | Last modified: | 2022-08-05 | Release date: | 2022-08-10 | Identifier: | naphthalen-1-amine |
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![5IL 5IL](https://data.pdbj.org/pdbjplus/data/cc/svg/5IL.svg) | 5IL | Name: | 5,8-bis(oxidanylidene)-7-[(2-piperazin-1-ylphenyl)amino]naphthalene-1-sulfonamide | Formula: | C20 H20 N4 O4 S | SMILES: | N[S](=O)(=O)c1cccc2C(=O)C=C(Nc3ccccc3N4CCNCC4)C(=O)c12 | InChi: | InChI=1S/C20H20N4O4S/c21-29(27,28)18-7-3-4-13-17(25)12-15(20(26)19(13)18)23-14-5-1-2-6-16(14)24-10-8-22-9-11-24/h1-7,12,22-23H,8-11H2,(H2,21,27,28) | Definition date: | 2021-08-19 | Last modified: | 2022-08-05 | Release date: | 2022-08-10 | Identifier: | 5,8-bis(oxidanylidene)-7-[(2-piperazin-1-ylphenyl)amino]naphthalene-1-sulfonamide |
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![6I2 6I2](https://data.pdbj.org/pdbjplus/data/cc/svg/6I2.svg) | 6I2 | Name: | {2-[(3-{[4-(2-{[(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}phenyl)methyl]amino}ethyl)piperazin-1-yl]methyl}phenyl)ethynyl]-5-methyl-1-benzofuran-3-yl}acetic acid | Formula: | C46 H43 N3 O6 | SMILES: | O=C(O)Cc1c2cc(C)ccc2oc1C#Cc1cccc(c1)CNCCN1CCN(CC1)Cc1cccc(c1)C#Cc1oc2ccc(C)cc2c1CC(=O)O | InChi: | InChI=1S/C46H43N3O6/c1-31-9-13-41-37(23-31)39(27-45(50)51)43(54-41)15-11-33-5-3-7-35(25-33)29-47-17-18-48-19-21-49(22-20-48)30-36-8-4-6-34(26-36)12-16-44-40(28-46(52)53)38-24-32(2)10-14-42(38)55-44/h3-10,13-14,23-26,47H,17-22,27-30H2,1-2H3,(H,50,51)(H,52,53) | Definition date: | 2021-08-05 | Last modified: | 2022-08-05 | Release date: | 2022-08-10 | Identifier: | {2-[(3-{[4-(2-{[(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}phenyl)methyl]amino}ethyl)piperazin-1-yl]methyl}phenyl)ethynyl]-5-methyl-1-benzofuran-3-yl}acetic acid |
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![7PZ 7PZ](https://data.pdbj.org/pdbjplus/data/cc/svg/7PZ.svg) | 7PZ | Name: | 1-[(5~{R},8~{R},15~{S},18~{S})-15,18-bis(4-azanylbutyl)-4,7,14,17,20-pentakis(oxidanylidene)-5-propan-2-yl-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine | Formula: | C33 H56 N10 O5 | SMILES: | CC(C)[CH]1NC(=O)[CH](CCCCNC(=O)[CH](CCCCN)NC(=O)[CH](CCCCN)NC(=O)Cc2cccc(CNC1=O)c2)NC(N)=N | InChi: | InChI=1S/C33H56N10O5/c1-21(2)28-32(48)39-20-23-11-9-10-22(18-23)19-27(44)40-25(13-4-7-16-35)30(46)41-24(12-3-6-15-34)29(45)38-17-8-5-14-26(31(47)43-28)42-33(36)37/h9-11,18,21,24-26,28H,3-8,12-17,19-20,34-35H2,1-2H3,(H,38,45)(H,39,48)(H,40,44)(H,41,46)(H,43,47)(H4,36,37,42)/t24-,25-,26+,28+/m0/s1 | Definition date: | 2021-10-12 | Last modified: | 2022-08-05 | Release date: | 2022-08-10 | Identifier: | 1-[(5~{R},8~{R},15~{S},18~{S})-15,18-bis(4-azanylbutyl)-4,7,14,17,20-pentakis(oxidanylidene)-5-propan-2-yl-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine |
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![7Q3 7Q3](https://data.pdbj.org/pdbjplus/data/cc/svg/7Q3.svg) | 7Q3 | Name: | 1-[(3~{S},6~{R},18~{R})-3,6-bis(4-azanylbutyl)-2,5,8,11,14,17-hexakis(oxidanylidene)-1,4,7,10,13,16-hexazacyclodocos-18-yl]guanidine | Formula: | C25 H47 N11 O6 | SMILES: | NCCCC[CH]1NC(=O)[CH](CCCCN)NC(=O)CNC(=O)CNC(=O)CNC(=O)[CH](CCCCNC1=O)NC(N)=N | InChi: | InChI=1S/C25H47N11O6/c26-10-4-1-7-16-22(40)30-12-6-3-9-17(36-25(28)29)23(41)33-14-20(38)31-13-19(37)32-15-21(39)34-18(24(42)35-16)8-2-5-11-27/h16-18H,1-15,26-27H2,(H,30,40)(H,31,38)(H,32,37)(H,33,41)(H,34,39)(H,35,42)(H4,28,29,36)/t16-,17+,18+/m0/s1 | Definition date: | 2021-10-12 | Last modified: | 2022-08-05 | Release date: | 2022-08-10 | Identifier: | 1-[(3~{S},6~{R},18~{R})-3,6-bis(4-azanylbutyl)-2,5,8,11,14,17-hexakis(oxidanylidene)-1,4,7,10,13,16-hexazacyclodocos-18-yl]guanidine |
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![7QG 7QG](https://data.pdbj.org/pdbjplus/data/cc/svg/7QG.svg) | 7QG | Name: | 1-[(3~{S},6~{S},19~{R})-3,6-bis(4-azanylbutyl)-2,5,8,12,15,18-hexakis(oxidanylidene)-1,4,7,11,14,17-hexazacyclotricos-19-yl]guanidine | Formula: | C26 H49 N11 O6 | SMILES: | NCCCC[CH]1NC(=O)[CH](CCCCN)NC(=O)CCNC(=O)CNC(=O)CNC(=O)[CH](CCCCNC1=O)NC(N)=N | InChi: | InChI=1S/C26H49N11O6/c27-11-4-1-7-17-23(41)32-13-6-3-9-18(37-26(29)30)24(42)34-16-22(40)33-15-21(39)31-14-10-20(38)35-19(25(43)36-17)8-2-5-12-28/h17-19H,1-16,27-28H2,(H,31,39)(H,32,41)(H,33,40)(H,34,42)(H,35,38)(H,36,43)(H4,29,30,37)/t17-,18+,19-/m0/s1 | Definition date: | 2021-10-13 | Last modified: | 2022-08-05 | Release date: | 2022-08-10 | Identifier: | 1-[(3~{S},6~{S},19~{R})-3,6-bis(4-azanylbutyl)-2,5,8,12,15,18-hexakis(oxidanylidene)-1,4,7,11,14,17-hexazacyclotricos-19-yl]guanidine |
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![TKO TKO](https://data.pdbj.org/pdbjplus/data/cc/svg/TKO.svg) | TKO | Name: | (4M)-6-bromo-4-(furan-2-yl)quinazolin-2-amine | Formula: | C12 H8 Br N3 O | SMILES: | Brc1cc2c(nc(N)nc2cc1)c1ccco1 | InChi: | InChI=1S/C12H8BrN3O/c13-7-3-4-9-8(6-7)11(16-12(14)15-9)10-2-1-5-17-10/h1-6H,(H2,14,15,16) | Definition date: | 2022-07-27 | Last modified: | 2022-08-05 | Release date: | 2022-08-10 | Identifier: | (4M)-6-bromo-4-(furan-2-yl)quinazolin-2-amine |
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![JFL JFL](https://data.pdbj.org/pdbjplus/data/cc/svg/JFL.svg) | JFL | Name: | 2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one | Formula: | C32 H32 F N3 O4 | SMILES: | CN1C=C(c2oc(cc2C1=O)c3[nH]c(nc3)C4CCC4)c5cc(ccc5Oc6c(C)cc(F)cc6C)C(C)(C)O | InChi: | InChI=1S/C32H32FN3O4/c1-17-11-21(33)12-18(2)28(17)39-26-10-9-20(32(3,4)38)13-22(26)24-16-36(5)31(37)23-14-27(40-29(23)24)25-15-34-30(35-25)19-7-6-8-19/h9-16,19,38H,6-8H2,1-5H3,(H,34,35) | Definition date: | 2022-01-18 | Last modified: | 2022-08-05 | Release date: | 2022-08-10 | Identifier: | 2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one |
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![JFR JFR](https://data.pdbj.org/pdbjplus/data/cc/svg/JFR.svg) | JFR | Name: | 2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one | Formula: | C33 H34 F N3 O4 | SMILES: | CN1C=C(c2oc(cc2C1=O)c3[nH]c(nc3)C4CCCC4)c5cc(ccc5Oc6c(C)cc(F)cc6C)C(C)(C)O | InChi: | InChI=1S/C33H34FN3O4/c1-18-12-22(34)13-19(2)29(18)40-27-11-10-21(33(3,4)39)14-23(27)25-17-37(5)32(38)24-15-28(41-30(24)25)26-16-35-31(36-26)20-8-6-7-9-20/h10-17,20,39H,6-9H2,1-5H3,(H,35,36) | Definition date: | 2022-01-18 | Last modified: | 2022-08-05 | Release date: | 2022-08-10 | Identifier: | 2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one |
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![JFU JFU](https://data.pdbj.org/pdbjplus/data/cc/svg/JFU.svg) | JFU | Name: | ~{N}-[2-ethyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2,4-bis(fluoranyl)benzenesulfonamide | Formula: | C23 H23 F2 N5 O3 S | SMILES: | CCN1C(=O)c2cc(nc3c(N[S](=O)(=O)c4ccc(F)cc4F)ccc1c23)N5CCN(C)CC5 | InChi: | InChI=1S/C23H23F2N5O3S/c1-3-30-18-6-5-17(27-34(32,33)19-7-4-14(24)12-16(19)25)22-21(18)15(23(30)31)13-20(26-22)29-10-8-28(2)9-11-29/h4-7,12-13,27H,3,8-11H2,1-2H3 | Definition date: | 2022-01-18 | Last modified: | 2022-08-05 | Release date: | 2022-08-10 | Identifier: | ~{N}-[2-ethyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2,4-bis(fluoranyl)benzenesulfonamide |
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![JGF JGF](https://data.pdbj.org/pdbjplus/data/cc/svg/JGF.svg) | JGF | Name: | ~{N}-[4-[2,4-bis(fluoranyl)phenoxy]-3-[2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide | Formula: | C29 H26 F2 N4 O5 S | SMILES: | CC[S](=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)C3=CN(C)C(=O)c4cc(oc34)c5[nH]c(nc5)C6CCC6 | InChi: | InChI=1S/C29H26F2N4O5S/c1-3-41(37,38)34-18-8-10-24(39-25-9-7-17(30)11-22(25)31)19(12-18)21-15-35(2)29(36)20-13-26(40-27(20)21)23-14-32-28(33-23)16-5-4-6-16/h7-16,34H,3-6H2,1-2H3,(H,32,33) | Definition date: | 2022-01-25 | Last modified: | 2022-08-05 | Release date: | 2022-08-10 | Identifier: | ~{N}-[4-[2,4-bis(fluoranyl)phenoxy]-3-[2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide |
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![JGL JGL](https://data.pdbj.org/pdbjplus/data/cc/svg/JGL.svg) | JGL | Name: | ~{N}-[4-[2,4-bis(fluoranyl)phenoxy]-3-[2-(1~{H}-imidazol-5-yl)-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide | Formula: | C25 H20 F2 N4 O5 S | SMILES: | CC[S](=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)C3=CN(C)C(=O)c4cc(oc34)c5[nH]cnc5 | InChi: | InChI=1S/C25H20F2N4O5S/c1-3-37(33,34)30-15-5-7-21(35-22-6-4-14(26)8-19(22)27)16(9-15)18-12-31(2)25(32)17-10-23(36-24(17)18)20-11-28-13-29-20/h4-13,30H,3H2,1-2H3,(H,28,29) | Definition date: | 2022-01-25 | Last modified: | 2022-08-05 | Release date: | 2022-08-10 | Identifier: | ~{N}-[4-[2,4-bis(fluoranyl)phenoxy]-3-[2-(1~{H}-imidazol-5-yl)-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide |
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![JGR JGR](https://data.pdbj.org/pdbjplus/data/cc/svg/JGR.svg) | JGR | Name: | ~{N}-[4-(4-fluoranyl-2,6-dimethyl-phenoxy)-3-[2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide | Formula: | C34 H35 F N2 O7 S | SMILES: | CC[S](=O)(=O)Nc1ccc(Oc2c(C)cc(F)cc2C)c(c1)C3=CN(C)C(=O)c4cc(oc34)c5cc(C)c(OCCO)c(C)c5 | InChi: | InChI=1S/C34H35FN2O7S/c1-7-45(40,41)36-25-8-9-29(43-32-21(4)14-24(35)15-22(32)5)26(16-25)28-18-37(6)34(39)27-17-30(44-33(27)28)23-12-19(2)31(20(3)13-23)42-11-10-38/h8-9,12-18,36,38H,7,10-11H2,1-6H3 | Definition date: | 2022-01-26 | Last modified: | 2022-08-05 | Release date: | 2022-08-10 | Identifier: | ~{N}-[4-(4-fluoranyl-2,6-dimethyl-phenoxy)-3-[2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide |
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![JGU JGU](https://data.pdbj.org/pdbjplus/data/cc/svg/JGU.svg) | JGU | Name: | 7-[2-[2,4-bis(fluoranyl)phenoxy]-5-(2-oxidanylpropan-2-yl)phenyl]-2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5-methyl-furo[3,2-c]pyridin-4-one | Formula: | C33 H31 F2 N O6 | SMILES: | CN1C=C(c2oc(cc2C1=O)c3cc(C)c(OCCO)c(C)c3)c4cc(ccc4Oc5ccc(F)cc5F)C(C)(C)O | InChi: | InChI=1S/C33H31F2NO6/c1-18-12-20(13-19(2)30(18)40-11-10-37)29-16-24-31(42-29)25(17-36(5)32(24)38)23-14-21(33(3,4)39)6-8-27(23)41-28-9-7-22(34)15-26(28)35/h6-9,12-17,37,39H,10-11H2,1-5H3 | Definition date: | 2022-01-26 | Last modified: | 2022-08-05 | Release date: | 2022-08-10 | Identifier: | 7-[2-[2,4-bis(fluoranyl)phenoxy]-5-(2-oxidanylpropan-2-yl)phenyl]-2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5-methyl-furo[3,2-c]pyridin-4-one |
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![6SI 6SI](https://data.pdbj.org/pdbjplus/data/cc/svg/6SI.svg) | 6SI | Name: | (3~{S})-~{N}-[5-[2-[(azanylidene-$l^{4}-azanylidene)amino]ethanoyl]-6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-(iminomethyl)pyrrolidine-3-carboxamide | Formula: | C14 H23 N8 O2 S | SMILES: | N[NH2+]NCC(=O)N1CCc2nc(NC(=O)[CH]3CCN(C3)C=N)sc2C1 | InChi: | InChI=1S/C14H22N8O2S/c15-8-21-3-1-9(6-21)13(24)19-14-18-10-2-4-22(7-11(10)25-14)12(23)5-17-20-16/h8-9,15,17,20H,1-7,16H2,(H,18,19,24)/p+1/b15-8+/t9-/m0/s1 | Definition date: | 2021-08-02 | Last modified: | 2022-08-05 | Release date: | 2022-08-10 | Identifier: | azanyl-[[2-[2-[[(3~{S})-1-(iminomethyl)pyrrolidin-3-yl]carbonylamino]-6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-oxidanylidene-ethyl]amino]azanium |
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![IQC IQC](https://data.pdbj.org/pdbjplus/data/cc/svg/IQC.svg) | IQC | Name: | 1-[7-[6-chloranyl-8-fluoranyl-7-(5-methyl-1~{H}-indazol-4-yl)-2-[(1-methylpiperidin-4-yl)amino]quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one | Formula: | C32 H38 Cl F N8 O | SMILES: | CCC(=O)N1CC2(CCN(CC2)c3nc(NC4CCN(C)CC4)nc5c(F)c(c(Cl)cc35)c6c(C)ccc7[nH]ncc67)C1 | InChi: | InChI=1S/C32H38ClFN8O/c1-4-25(43)42-17-32(18-42)9-13-41(14-10-32)30-21-15-23(33)27(26-19(2)5-6-24-22(26)16-35-39-24)28(34)29(21)37-31(38-30)36-20-7-11-40(3)12-8-20/h5-6,15-16,20H,4,7-14,17-18H2,1-3H3,(H,35,39)(H,36,37,38) | Definition date: | 2022-07-11 | Last modified: | 2022-08-05 | Release date: | 2022-08-10 | Identifier: | 1-[7-[6-chloranyl-8-fluoranyl-7-(5-methyl-1~{H}-indazol-4-yl)-2-[(1-methylpiperidin-4-yl)amino]quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one |
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![IQN IQN](https://data.pdbj.org/pdbjplus/data/cc/svg/IQN.svg) | IQN | Name: | 1-[7-[6-chloranyl-2-(1-ethylpiperidin-4-yl)oxy-8-fluoranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one | Formula: | C33 H39 Cl F N7 O2 | SMILES: | CCN1CCC(CC1)Oc2nc(N3CCC4(CC3)CN(C4)C(=O)CC)c5cc(Cl)c(c(F)c5n2)c6c(C)ccc7[nH]ncc67 | InChi: | InChI=1S/C33H39ClFN7O2/c1-4-26(43)42-18-33(19-42)10-14-41(15-11-33)31-22-16-24(34)28(27-20(3)6-7-25-23(27)17-36-39-25)29(35)30(22)37-32(38-31)44-21-8-12-40(5-2)13-9-21/h6-7,16-17,21H,4-5,8-15,18-19H2,1-3H3,(H,36,39) | Definition date: | 2022-07-11 | Last modified: | 2022-08-05 | Release date: | 2022-08-10 | Identifier: | 1-[7-[6-chloranyl-2-(1-ethylpiperidin-4-yl)oxy-8-fluoranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one |
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![74I 74I](https://data.pdbj.org/pdbjplus/data/cc/svg/74I.svg) | 74I | Name: | (Z)-2,3-bis(oxidanyl)prop-2-enoic acid | Formula: | C3 H4 O4 | SMILES: | OC=C(O)C(O)=O | InChi: | InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h1,4-5H,(H,6,7)/b2-1- | Synonyms: | 2,3-dihydroxyacrylic acid | Definition date: | 2021-08-04 | Last modified: | 2022-08-05 | Release date: | 2022-08-10 | Identifier: | (~{Z})-2,3-bis(oxidanyl)prop-2-enoic acid |
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![W9V W9V](https://data.pdbj.org/pdbjplus/data/cc/svg/W9V.svg) | W9V | Name: | (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-{[(5Z)-6-{[2-nitro-4-(2H-1,2,3-triazol-2-yl)phenyl]amino}hex-5-en-1-yl]amino}cyclohexane-1,2,3,4-tetrol | Formula: | C21 H32 N6 O7 | SMILES: | N(C1CC(C(C(C1O)O)O)(O)CO)CCCCCCNc2c([N+](=O)[O-])cc(cc2)n3nccn3 | InChi: | InChI=1S/C21H32N6O7/c28-13-21(32)12-16(18(29)19(30)20(21)31)23-8-4-2-1-3-7-22-15-6-5-14(11-17(15)27(33)34)26-24-9-10-25-26/h5-6,9-11,16,18-20,22-23,28-32H,1-4,7-8,12-13H2/t16-,18-,19+,20-,21-/m0/s1 | Definition date: | 2020-10-04 | Last modified: | 2022-08-05 | Release date: | 2021-09-29 | Identifier: | (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(6-{[2-nitro-4-(2H-1,2,3-triazol-2-yl)phenyl]amino}hexyl)amino]cyclohexane-1,2,3,4-tetrol |
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![Y9P Y9P](https://data.pdbj.org/pdbjplus/data/cc/svg/Y9P.svg) | Y9P | Name: | 4-chloranyl-2-methyl-5-[[(3~{R})-pyrrolidin-3-yl]amino]pyridazin-3-one | Formula: | C9 H13 Cl N4 O | SMILES: | CN1N=CC(=C(Cl)C1=O)N[CH]2CCNC2 | InChi: | InChI=1S/C9H13ClN4O/c1-14-9(15)8(10)7(5-12-14)13-6-2-3-11-4-6/h5-6,11,13H,2-4H2,1H3/t6-/m1/s1 | Definition date: | 2021-02-12 | Last modified: | 2022-08-05 | Release date: | 2022-08-10 | Identifier: | 4-chloranyl-2-methyl-5-[[(3~{R})-pyrrolidin-3-yl]amino]pyridazin-3-one |
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![YBV YBV](https://data.pdbj.org/pdbjplus/data/cc/svg/YBV.svg) | YBV | Name: | 5-(azetidin-3-ylamino)-4-chloranyl-2-methyl-pyridazin-3-one | Formula: | C8 H11 Cl N4 O | SMILES: | CN1N=CC(=C(Cl)C1=O)NC2CNC2 | InChi: | InChI=1S/C8H11ClN4O/c1-13-8(14)7(9)6(4-11-13)12-5-2-10-3-5/h4-5,10,12H,2-3H2,1H3 | Definition date: | 2021-02-17 | Last modified: | 2022-08-05 | Release date: | 2022-08-10 | Identifier: | 5-(azetidin-3-ylamino)-4-chloranyl-2-methyl-pyridazin-3-one |
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