| 5IJ | Name: | (1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl acetate | Formula: | C30 H39 Cl N2 O9 | SMILES: | CC(=O)OC1CC(=O)N(C)c2cc(CC(C)=CC=CC(OC)C3(O)CC(OC(=O)N3)C(C)C3OC13C)cc(OC)c2Cl | InChi: | InChI=1S/C30H39ClN2O9/c1-16-9-8-10-23(39-7)30(37)15-22(41-28(36)32-30)17(2)27-29(4,42-27)24(40-18(3)34)14-25(35)33(5)20-12-19(11-16)13-21(38-6)26(20)31/h8-10,12-13,17,22-24,27,37H,11,14-15H2,1-7H3,(H,32,36)/b10-8+,16-9+/t17-,22+,23-,24+,27+,29+,30+/m1/s1 | Definition date: | 2021-07-20 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | (1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl acetate |
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| 5IS | Name: | (1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-6-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaene-8,23-dione | Formula: | C28 H35 Cl N2 O7 | SMILES: | CC1C2CC(=NC(=O)O2)C(OC)C=CC=C(C)Cc2cc(c(Cl)c(OC)c2)N(C)C(=O)CC(O)C2(C)OC12 | InChi: | InChI=1S/C28H35ClN2O7/c1-15-8-7-9-20(35-5)18-13-21(37-27(34)30-18)16(2)26-28(3,38-26)23(32)14-24(33)31(4)19-11-17(10-15)12-22(36-6)25(19)29/h7-9,11-12,16,20-21,23,26,32H,10,13-14H2,1-6H3/b9-7+,15-8+/t16-,20-,21+,23+,26+,28+/m1/s1 | Definition date: | 2021-07-20 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | (1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-6-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaene-8,23-dione |
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| 5IX | Name: | (1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl phenylacetate | Formula: | C36 H43 Cl N2 O9 | SMILES: | CC1C2CC(O)(NC(=O)O2)C(OC)C=CC=C(C)Cc2cc(c(Cl)c(OC)c2)N(C)C(=O)CC(OC(=O)Cc2ccccc2)C2(C)OC12 | InChi: | InChI=1S/C36H43ClN2O9/c1-21-11-10-14-28(45-6)36(43)20-27(46-34(42)38-36)22(2)33-35(3,48-33)29(47-31(41)18-23-12-8-7-9-13-23)19-30(40)39(4)25-16-24(15-21)17-26(44-5)32(25)37/h7-14,16-17,22,27-29,33,43H,15,18-20H2,1-6H3,(H,38,42)/b14-10+,21-11+/t22-,27+,28-,29+,33+,35+,36+/m1/s1 | Definition date: | 2021-07-20 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | (1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl phenylacetate |
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| 5JH | Name: | (1R,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl heptanoate | Formula: | C35 H49 Cl N2 O9 | SMILES: | CCCCCCC(=O)OC1CC(=O)N(C)c2cc(CC(C)=CC=CC(OC)C3(O)CC(OC(=O)N3)C(C)C3OC13C)cc(OC)c2Cl | InChi: | InChI=1S/C35H49ClN2O9/c1-8-9-10-11-15-30(40)46-28-19-29(39)38(5)24-17-23(18-25(43-6)31(24)36)16-21(2)13-12-14-27(44-7)35(42)20-26(45-33(41)37-35)22(3)32-34(28,4)47-32/h12-14,17-18,22,26-28,32,42H,8-11,15-16,19-20H2,1-7H3,(H,37,41)/b14-12+,21-13+/t22-,26-,27-,28+,32+,34+,35+/m1/s1 | Definition date: | 2021-07-20 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | (1R,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl heptanoate |
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| 5JS | Name: | (1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaen-6-yl phenylacetate | Formula: | C36 H41 Cl N2 O8 | SMILES: | CC1C2CC(=NC(=O)O2)C(OC)C=CC=C(C)Cc2cc(c(Cl)c(OC)c2)N(C)C(=O)CC(OC(=O)Cc2ccccc2)C2(C)OC12 | InChi: | InChI=1S/C36H41ClN2O8/c1-21-11-10-14-27(43-5)25-19-28(45-35(42)38-25)22(2)34-36(3,47-34)30(46-32(41)18-23-12-8-7-9-13-23)20-31(40)39(4)26-16-24(15-21)17-29(44-6)33(26)37/h7-14,16-17,22,27-28,30,34H,15,18-20H2,1-6H3/b14-10+,21-11+/t22-,27-,28+,30+,34+,36+/m1/s1 | Definition date: | 2021-07-20 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | (1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaen-6-yl phenylacetate |
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| 5KI | Name: | (1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21(25)-hexaen-6-yl acetate | Formula: | C30 H37 Cl N2 O8 | SMILES: | CC(=O)OC1CC(=O)N(C)c2cc(CC(C)=CC=CC(OC)C3=CC(OC(=O)N3)C(C)C3OC13C)cc(OC)c2Cl | InChi: | InChI=1S/C30H37ClN2O8/c1-16-9-8-10-22(37-6)20-14-23(40-29(36)32-20)17(2)28-30(4,41-28)25(39-18(3)34)15-26(35)33(5)21-12-19(11-16)13-24(38-7)27(21)31/h8-10,12-14,17,22-23,25,28H,11,15H2,1-7H3,(H,32,36)/b10-8+,16-9+/t17-,22-,23+,25+,28+,30+/m1/s1 | Definition date: | 2021-07-20 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | (1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21(25)-hexaen-6-yl acetate |
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| 5L5 | Name: | (1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaen-6-yl hept-6-ynoate | Formula: | C35 H43 Cl N2 O8 | SMILES: | C#CCCCCC(=O)OC1CC(=O)N(C)c2cc(CC(C)=CC=CC(OC)C=3CC(OC(=O)N=3)C(C)C3OC13C)cc(OC)c2Cl | InChi: | InChI=1S/C35H43ClN2O8/c1-8-9-10-11-15-31(40)45-29-20-30(39)38(5)25-17-23(18-28(43-7)32(25)36)16-21(2)13-12-14-26(42-6)24-19-27(44-34(41)37-24)22(3)33-35(29,4)46-33/h1,12-14,17-18,22,26-27,29,33H,9-11,15-16,19-20H2,2-7H3/b14-12+,21-13+/t22-,26-,27+,29+,33+,35+/m1/s1 | Definition date: | 2021-07-20 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | (1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaen-6-yl hept-6-ynoate |
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| 1H9 | Name: | 8-[(3-bromophenyl)methoxy]-4~{H}-thieno[2,3-c]isoquinolin-5-one | Formula: | C18 H12 Br N O2 S | SMILES: | Brc1cccc(COc2ccc3C(=O)Nc4sccc4c3c2)c1 | InChi: | InChI=1S/C18H12BrNO2S/c19-12-3-1-2-11(8-12)10-22-13-4-5-14-16(9-13)15-6-7-23-18(15)20-17(14)21/h1-9H,10H2,(H,20,21) | Definition date: | 2021-06-10 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | 8-[(3-bromophenyl)methoxy]-4~{H}-thieno[2,3-c]isoquinolin-5-one |
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| 1I1 | Name: | ((2-(6-amino-9H-purin-9-yl)ethyl)-L-seryl)phosphoramidic acid | Formula: | C10 H16 N7 O5 P | SMILES: | Nc1ncnc2n(CCN[CH](CO)C(=O)N[P](O)(O)=O)cnc12 | InChi: | InChI=1S/C10H16N7O5P/c11-8-7-9(14-4-13-8)17(5-15-7)2-1-12-6(3-18)10(19)16-23(20,21)22/h4-6,12,18H,1-3H2,(H2,11,13,14)(H3,16,19,20,21,22)/t6-/m0/s1 | Definition date: | 2021-06-10 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | [[(2~{S})-2-[2-(6-aminopurin-9-yl)ethylamino]-3-oxidanyl-propanoyl]amino]phosphonic acid |
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| 1I4 | Name: | (R)-N-(1-(6-amino-9H-purin-9-yl)propan-2-yl)-N-(2-phosphonoethyl)glycine | Formula: | C12 H19 N6 O5 P | SMILES: | C[CH](Cn1cnc2c(N)ncnc12)N(CC[P](O)(O)=O)CC(O)=O | InChi: | InChI=1S/C12H19N6O5P/c1-8(17(5-9(19)20)2-3-24(21,22)23)4-18-7-16-10-11(13)14-6-15-12(10)18/h6-8H,2-5H2,1H3,(H,19,20)(H2,13,14,15)(H2,21,22,23)/t8-/m1/s1 | Definition date: | 2021-06-10 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | 2-[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]-(2-phosphonoethyl)amino]ethanoic acid |
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| 1IA | Name: | (2~{R})-2-[2-(6-aminopurin-9-yl)ethylamino]-3-phosphono-propanoic acid | Formula: | C10 H15 N6 O5 P | SMILES: | Nc1ncnc2n(CCN[CH](C[P](O)(O)=O)C(O)=O)cnc12 | InChi: | InChI=1S/C10H15N6O5P/c11-8-7-9(14-4-13-8)16(5-15-7)2-1-12-6(10(17)18)3-22(19,20)21/h4-6,12H,1-3H2,(H,17,18)(H2,11,13,14)(H2,19,20,21)/t6-/m0/s1 | Definition date: | 2021-06-10 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | (2~{R})-2-[2-(6-aminopurin-9-yl)ethylamino]-3-phosphono-propanoic acid |
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| 1IH | Name: | (S)-2-((2-(6-amino-9H-purin-9-yl)ethyl)amino)-3-phosphonopropanoic acid | Formula: | C10 H15 N6 O5 P | SMILES: | Nc1ncnc2n(CCN[CH](C[P](O)(O)=O)C(O)=O)cnc12 | InChi: | InChI=1S/C10H15N6O5P/c11-8-7-9(14-4-13-8)16(5-15-7)2-1-12-6(10(17)18)3-22(19,20)21/h4-6,12H,1-3H2,(H,17,18)(H2,11,13,14)(H2,19,20,21)/t6-/m1/s1 | Definition date: | 2021-06-10 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | (2~{S})-2-[2-(6-aminopurin-9-yl)ethylamino]-3-phosphono-propanoic acid |
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| 1IK | Name: | (S)-2-((3-(6-amino-9H-purin-9-yl)propyl)amino)-3-phosphonopropanoic acid | Formula: | C11 H17 N6 O5 P | SMILES: | Nc1ncnc2n(CCCN[CH](C[P](O)(O)=O)C(O)=O)cnc12 | InChi: | InChI=1S/C11H17N6O5P/c12-9-8-10(15-5-14-9)17(6-16-8)3-1-2-13-7(11(18)19)4-23(20,21)22/h5-7,13H,1-4H2,(H,18,19)(H2,12,14,15)(H2,20,21,22)/t7-/m1/s1 | Definition date: | 2021-06-11 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | (2~{S})-2-[3-(6-aminopurin-9-yl)propylamino]-3-phosphono-propanoic acid |
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| 1IO | Name: | (S)-2-(2-(6-amino-9H-purin-9-yl)ethoxy)-3-phosphonopropanoic acid | Formula: | C10 H14 N5 O6 P | SMILES: | Nc1ncnc2n(CCO[CH](C[P](O)(O)=O)C(O)=O)cnc12 | InChi: | InChI=1S/C10H14N5O6P/c11-8-7-9(13-4-12-8)15(5-14-7)1-2-21-6(10(16)17)3-22(18,19)20/h4-6H,1-3H2,(H,16,17)(H2,11,12,13)(H2,18,19,20)/t6-/m1/s1 | Definition date: | 2021-06-11 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | (2~{S})-2-[2-(6-aminopurin-9-yl)ethoxy]-3-phosphono-propanoic acid |
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| 1KK | Name: | (S)-2-(3-(6-amino-9H-purin-9-yl)propoxy)-3-phosphonopropanoic acid | Formula: | C11 H16 N5 O6 P | SMILES: | Nc1ncnc2n(CCCO[CH](C[P](O)(O)=O)C(O)=O)cnc12 | InChi: | InChI=1S/C11H16N5O6P/c12-9-8-10(14-5-13-9)16(6-15-8)2-1-3-22-7(11(17)18)4-23(19,20)21/h5-7H,1-4H2,(H,17,18)(H2,12,13,14)(H2,19,20,21)/t7-/m1/s1 | Definition date: | 2021-06-14 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | (2~{S})-2-[3-(6-aminopurin-9-yl)propoxy]-3-phosphono-propanoic acid |
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| GYO | Name: | ~{N}-[(1~{S},2~{S})-2-(2-methoxyphenyl)cyclopropyl]-3~{H}-benzimidazole-5-carboxamide | Formula: | C18 H17 N3 O2 | SMILES: | COc1ccccc1[CH]2C[CH]2NC(=O)c3ccc4nc[nH]c4c3 | InChi: | InChI=1S/C18H17N3O2/c1-23-17-5-3-2-4-12(17)13-9-15(13)21-18(22)11-6-7-14-16(8-11)20-10-19-14/h2-8,10,13,15H,9H2,1H3,(H,19,20)(H,21,22)/t13-,15-/m0/s1 | Definition date: | 2020-10-09 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | ~{N}-[(1~{S},2~{S})-2-(2-methoxyphenyl)cyclopropyl]-3~{H}-benzimidazole-5-carboxamide |
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| H9F | Name: | 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol | Formula: | C24 H40 N8 O4 | SMILES: | OCCN(CCO)c1nc(N2CCCCC2)c3nc(nc(N4CCCCC4)c3n1)N(CCO)CCO | InChi: | InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2 | Definition date: | 2020-12-04 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol |
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| VUS | Name: | 3-[(3~{a}~{S},4~{S},6~{a}~{R})-4-carboxy-2,3,4,5,6,6~{a}-hexahydro-1~{H}-pyrrolo[2,3-c]pyrrol-3~{a}-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide | Formula: | C10 H20 B N2 O5 | SMILES: | O=C(O)C1NCC2NCCC12CCC[B-](O)(O)O | InChi: | InChI=1S/C10H20BN2O5/c14-9(15)8-10(2-1-4-11(16,17)18)3-5-12-7(10)6-13-8/h7-8,12-13,16-18H,1-6H2,(H,14,15)/q-1/t7-,8+,10-/m0/s1 | Definition date: | 2020-09-16 | Last modified: | 2021-12-01 | Release date: | 2021-12-01 | Identifier: | {3-[(3aS,4S,6aR)-4-carboxyhexahydropyrrolo[3,4-b]pyrrol-3a(1H)-yl]propyl}(trihydroxido)borate(1-) |
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| VUV | Name: | 3-[(2~{S},3~{R})-2-carboxypyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide | Formula: | C8 H17 B N O5 | SMILES: | O=C(O)C1NCCC1CCC[B-](O)(O)O | InChi: | InChI=1S/C8H17BNO5/c11-8(12)7-6(3-5-10-7)2-1-4-9(13,14)15/h6-7,10,13-15H,1-5H2,(H,11,12)/q-1/t6-,7+/m1/s1 | Definition date: | 2020-09-16 | Last modified: | 2021-12-01 | Release date: | 2021-12-01 | Identifier: | {3-[(2S,3R)-2-carboxypyrrolidin-3-yl]propyl}(trihydroxido)borate(1-) |
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| VUY | Name: | 3-[(1~{S},2~{S},5~{R})-2-carboxy-6-thia-3-azabicyclo[3.2.0]heptan-1-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide | Formula: | C9 H17 B N O5 S | SMILES: | O=C(O)C1NCC2SCC12CCC[B-](O)(O)O | InChi: | InChI=1S/C9H17BNO5S/c12-8(13)7-9(2-1-3-10(14,15)16)5-17-6(9)4-11-7/h6-7,11,14-16H,1-5H2,(H,12,13)/q-1/t6-,7+,9-/m0/s1 | Definition date: | 2020-09-16 | Last modified: | 2021-12-01 | Release date: | 2021-10-06 | Identifier: | {3-[(1S,2S,5R)-2-carboxy-6-thia-3-azabicyclo[3.2.0]heptan-1-yl]propyl}(trihydroxido)borate(1-) |
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| VV1 | Name: | 3-[(1~{S},2~{S},5~{R})-2-carboxy-3,6-diazabicyclo[3.2.0]heptan-1-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide | Formula: | C9 H18 B N2 O5 | SMILES: | O=C(O)C1NCC2NCC12CCC[B-](O)(O)O | InChi: | InChI=1S/C9H18BN2O5/c13-8(14)7-9(2-1-3-10(15,16)17)5-12-6(9)4-11-7/h6-7,11-12,15-17H,1-5H2,(H,13,14)/q-1/t6-,7+,9-/m0/s1 | Definition date: | 2020-09-16 | Last modified: | 2021-12-01 | Release date: | 2021-12-01 | Identifier: | {3-[(1S,2S,5R)-2-carboxy-3,6-diazabicyclo[3.2.0]heptan-1-yl]propyl}(trihydroxido)borate(1-) |
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| VV4 | Name: | 3-[(1~{R},5~{S},8~{R})-5-carboxy-2,6-diazabicyclo[3.2.1]octan-8-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide | Formula: | C10 H20 B N2 O5 | SMILES: | O[B-](O)(O)CCCC1C2NCCC1(NC2)C(=O)O | InChi: | InChI=1S/C10H20BN2O5/c14-9(15)10-3-5-12-8(6-13-10)7(10)2-1-4-11(16,17)18/h7-8,12-13,16-18H,1-6H2,(H,14,15)/q-1/t7-,8+,10+/m1/s1 | Definition date: | 2020-09-16 | Last modified: | 2021-12-01 | Release date: | 2021-12-01 | Identifier: | {3-[(1R,5S,8R)-5-carboxy-2,6-diazabicyclo[3.2.1]octan-8-yl]propyl}(trihydroxido)borate(1-) |
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| VAJ | Name: | [1,1'-biphenyl]-3,4'-dicarboxylic acid | Formula: | C14 H10 O4 | SMILES: | c2(ccc(c1cc(ccc1)C(=O)O)cc2)C(O)=O | InChi: | InChI=1S/C14H10O4/c15-13(16)10-6-4-9(5-7-10)11-2-1-3-12(8-11)14(17)18/h1-8H,(H,15,16)(H,17,18) | Definition date: | 2020-07-22 | Last modified: | 2021-11-26 | Release date: | 2021-12-01 | Identifier: | [1,1'-biphenyl]-3,4'-dicarboxylic acid |
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| UGH | Name: | WR-1065 | Formula: | C5 H14 N2 S | SMILES: | NCCCNCCS | InChi: | InChI=1S/C5H14N2S/c6-2-1-3-7-4-5-8/h7-8H,1-6H2 | Definition date: | 2021-02-16 | Last modified: | 2021-11-26 | Release date: | 2021-12-01 | Identifier: | 2-(3-azanylpropylamino)ethanethiol |
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| WOM | Name: | Picloram | Formula: | C6 H3 Cl3 N2 O2 | SMILES: | c1(N)c(Cl)c(C(O)=O)nc(c1Cl)Cl | InChi: | InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13) | Synonyms: | 4-amino-3,5,6-trichloropyridine-2-carboxylic acid | Definition date: | 2020-11-01 | Last modified: | 2021-11-26 | Release date: | 2021-12-01 | Identifier: | 4-amino-3,5,6-trichloropyridine-2-carboxylic acid |
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