 | RHM | 表記: | DELTA-ALPHA-RH[2R,9R-DIAMINO-4,7-DIAZADECANE]9,10-PHENANTHRENEQUINONE DIIMINE | 組成式: | C22 H27 N6 Rh | SMILES: | N3=C6c1ccccc1c2ccccc2C6=N[Rh+2]345NC(C)CNCCN5CC(N4)C | InChi: | InChI=1S/C14H8N2.C8H19N4.Rh/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16 | 別名: | RH(ME2TRIEN)PHI | 定義日: | 1999-07-08 | 最終更新日: | 2020-06-17 | 識別子(ID): | [(2R,2'R)-N~1~,N~1~'-ethane-1,2-diyldipropane-1,2-diaminato(3-)-kappa~2~N,N'][phenanthrene-9,10-diiminato(2-)-kappa~2~N,N']rhodium(2+) |
|
 | RHN | 表記: | 4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid | 組成式: | C15 H8 O6 | SMILES: | O=C(O)c3cc2C(=O)c1cccc(O)c1C(=O)c2c(O)c3 | InChi: | InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21) | 別名: | Rhein | 定義日: | 2011-03-15 | 最終更新日: | 2020-06-17 | 識別子(ID): | 4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid |
|
 | RHO | 表記: | TETRAMETHYLRHODAMINE-5-MALEIMIDE | 組成式: | C28 H25 N3 O5 | SMILES: | O=C1C=CC(=O)N1c5ccc(C=2c4c(OC=3C=2CC=C(N(C)C)C=3)cc(cc4)N(C)C)c(C(=O)O)c5 | InChi: | InChI=1S/C28H25N3O5/c1-29(2)16-5-9-20-23(14-16)36-24-15-17(30(3)4)6-10-21(24)27(20)19-8-7-18(13-22(19)28(34)35)31-25(32)11-12-26(31)33/h5-9,11-15H,10H2,1-4H3,(H,34,35) | 別名: | TMR | 定義日: | 2001-05-23 | 最終更新日: | 2020-06-17 | 識別子(ID): | 2-[3,6-bis(dimethylamino)-1H-xanthen-9-yl]-5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid |
|
 | 1PT | 表記: | CYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II) | 組成式: | C6 H14 N2 Pt | SMILES: | [Pt+2]1NC2C(N1)CCCC2 | InChi: | InChI=1S/C6H14N2.Pt/c7-5-3-1-2-4-6(5)8 | 別名: | OXALIPLATIN | 定義日: | 2003-06-03 | 最終更新日: | 2020-06-17 | 識別子(ID): | (cyclohexane-1,2-diamine-kappa~2~N,N')platinum(2+) |
|
 | RI5 | 表記: | (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c
yclopropa[a]azulene-4,8(3H)-dione | 組成式: | C15 H16 O6 | SMILES: | O=C3OC4C1OC(=O)C25OC5CC(O)(C12C)C3C4C(=C)/C | InChi: | InChI=1S/C15H16O6/c1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h6-10,18H,1,4H2,2-3H3/t6-,7+,8-,9-,10-,13-,14-,15+/m1/s1 | 別名: | PICROTOXIN | 定義日: | 2011-04-15 | 最終更新日: | 2020-06-17 | 識別子(ID): | (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]cyclopropa[a]azulene-4,8(3H)-dione |
|
 | RIO | 表記: | RIBOSTAMYCIN | 組成式: | C17 H34 N4 O10 | SMILES: | O(C2C(OC1OC(CN)C(O)C(O)C1N)C(N)CC(N)C2O)C3OC(C(O)C3O)CO | InChi: | InChI=1S/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17+/m1/s1 | 別名: | 5-AMINO-2-AMINOMETHYL-6-[4,6-DIAMINO-2-(3,4-DIHYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-2-YLOXY)-3-HYDROXY-CYCLOHEXYLOXY
]-TETRAHYDRO-PYRAN-3,4-DIOL | 定義日: | 2002-07-08 | 最終更新日: | 2020-06-17 | 識別子(ID): | (1R,2R,3S,4R,6S)-4,6-diamino-3-hydroxy-2-(beta-D-ribofuranosyloxy)cyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside |
|
 | RIS | 表記: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID | 組成式: | C7 H11 N O7 P2 | SMILES: | O=P(O)(O)C(O)(P(=O)(O)O)Cc1cccnc1 | InChi: | InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15) | 別名: | Risedronate | 定義日: | 2003-12-17 | 最終更新日: | 2020-06-17 | 識別子(ID): | (1-hydroxy-2-pyridin-3-ylethane-1,1-diyl)bis(phosphonic acid) |
|
 | RJ6 | 表記: | N-(3,5-dimethoxyphenyl)imidodicarbonimidic diamide | 組成式: | C10 H15 N5 O2 | SMILES: | O(c1cc(cc(OC)c1)NC(=[N@H])NC(=[N@H])N)C | InChi: | InChI=1S/C10H15N5O2/c1-16-7-3-6(4-8(5-7)17-2)14-10(13)15-9(11)12/h3-5H,1-2H3,(H6,11,12,13,14,15) | 別名: | {[(3,5-dimethoxyanilino)(imino)methyl]amino}methanimidamide | 定義日: | 2008-06-17 | 最終更新日: | 2020-06-17 | 識別子(ID): | N-(3,5-dimethoxyphenyl)imidodicarbonimidic diamide |
|
 | 1RB | 表記: | 1-ALPHA-D-RIBOFURANOSYL-BENZIMIAZOLE-5'-PHOSPHATE | 組成式: | C12 H15 N2 O7 P | SMILES: | O=P(O)(O)OCC3OC(n2cnc1ccccc12)C(O)C3O | InChi: | InChI=1S/C12H15N2O7P/c15-10-9(5-20-22(17,18)19)21-12(11(10)16)14-6-13-7-3-1-2-4-8(7)14/h1-4,6,9-12,15-16H,5H2,(H2,17,18,19)/t9-,10-,11-,12+/m1/s1 | 別名: | ALPHA-RIBAZOLE-5'-PHOSPHATE DERIVATIVE | 定義日: | 2002-03-19 | 最終更新日: | 2020-06-17 | 識別子(ID): | 1-(5-O-phosphono-alpha-D-ribofuranosyl)-1H-benzimidazole |
|
 | 1RZ | 表記: | Lamivudine Triphosphate | 組成式: | C8 H14 N3 O12 P3 S | SMILES: | NC1=NC(=O)N(C=C1)[CH]2CS[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2 | InChi: | InChI=1S/C8H14N3O12P3S/c9-5-1-2-11(8(12)10-5)6-4-27-7(21-6)3-20-25(16,17)23-26(18,19)22-24(13,14)15/h1-2,6-7H,3-4H2,(H,16,17)(H,18,19)(H2,9,10,12)(H2,13,14,15)/t6-,7+/m0/s1 | 別名: | Lamivudine-5'-triphosphate | 定義日: | 2013-05-14 | 最終更新日: | 2020-06-17 | 公開日: | 2014-07-16 | 識別子(ID): | [[(2R,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
|
 | RKD | 表記: | (2S)-2-(4-chlorophenyl)-2-hydroxy-2-[4-(1H-pyrazol-4-yl)phenyl]ethanaminium | 組成式: | C17 H17 Cl N3 O | SMILES: | Clc1ccc(cc1)C(O)(c3ccc(c2cnnc2)cc3)C[NH3+] | InChi: | InChI=1S/C17H16ClN3O/c18-16-7-5-15(6-8-16)17(22,11-19)14-3-1-12(2-4-14)13-9-20-21-10-13/h1-10,22H,11,19H2,(H,20,21)/p+1/t17-/m0/s1 | 別名: | (1S)-2-AMINO-1-(4-CHLOROPHENYL)-1-(4-(1H-PYRAZOL-4-YL)PHENYL)ETHAN-1-OL | 定義日: | 2012-06-12 | 最終更新日: | 2020-06-17 | 識別子(ID): | (2S)-2-(4-chlorophenyl)-2-hydroxy-2-[4-(1H-pyrazol-4-yl)phenyl]ethanaminium |
|
 | 1SM | 表記: | METHYL 2-[({[(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]CARBONYL}AMINO)SULFONYL]BENZOATE | 組成式: | C15 H16 N4 O5 S | SMILES: | O=C(Nc1nc(cc(n1)C)C)NS(=O)(=O)c2ccccc2C(=O)OC | InChi: | InChI=1S/C15H16N4O5S/c1-9-8-10(2)17-14(16-9)18-15(21)19-25(22,23)12-7-5-4-6-11(12)13(20)24-3/h4-8H,1-3H3,(H2,16,17,18,19,21) | 別名: | SULFOMETURON METHYL | 定義日: | 2004-07-01 | 最終更新日: | 2020-06-17 | 識別子(ID): | methyl 2-{[(4,6-dimethylpyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate |
|
 | 1ST | 表記: | (5S,6R,7R,9R)-12-HYDROXY-6-METHOXY-5-METHYL-7-(METHYLAMINO)-6,7,8,9-TETRAHYDRO-5H,14H-5,9-EPOXY-4B,9A,15-TRIAZADIBENZO[
B,H]CYCLONONA[1,2,3,4-JKL]CYCLOPENTA[E]-AS-INDACEN-14-ONE | 組成式: | C28 H24 N4 O4 | SMILES: | O=C5N=Cc4c2c3n(c1ccccc12)C8(OC(n6c3c(c45)c7cc(O)ccc67)CC(NC)C8OC)C | InChi: | InChI=1S/C28H24N4O4/c1-28-26(35-3)17(29-2)11-20(36-28)31-18-9-8-13(33)10-15(18)22-23-16(12-30-27(23)34)21-14-6-4-5-7-19(14)32(28)25(21)24(22)31/h4-10,12,17,20,26,29,33H,11H2,1-3H3/t17-,20-,26-,28+/m1/s1 | 別名: | 3-HYDROXYSTAUROSPORINE | 定義日: | 2006-08-07 | 最終更新日: | 2020-06-17 | 識別子(ID): | (5S,6R,7R,9R)-12-hydroxy-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9-tetrahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one |
|
 | 1TJ | 表記: | 1,8-dihydroxy-3-methyltetraphene-6,7,12(5H)-trione | 組成式: | C19 H12 O5 | SMILES: | O=C2C4=C(C(=O)c1c(O)cccc12)C(=O)Cc3cc(cc(O)c34)C | InChi: | InChI=1S/C19H12O5/c1-8-5-9-7-13(22)16-17(14(9)12(21)6-8)18(23)10-3-2-4-11(20)15(10)19(16)24/h2-6,20-21H,7H2,1H3 | 別名: | 11-DEOXY-6-OXYLANDOMYCINONE | 定義日: | 2013-05-30 | 最終更新日: | 2020-06-17 | 公開日: | 2013-07-31 | 識別子(ID): | 1,8-dihydroxy-3-methyltetraphene-6,7,12(5H)-trione |
|
 | RLT | 表記: | N-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-(1-methyl-1-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}ethyl)-6-oxo-1,6-di
hydropyrimidine-4-carboxamide | 組成式: | C20 H21 F N6 O5 | SMILES: | CN1C(=O)C(=C(N=C1C(C)(C)NC(=O)c2oc(C)nn2)C(=O)NCc3ccc(F)cc3)O | InChi: | InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30) | 別名: | RALTEGRAVIR, MK0518 | 定義日: | 2009-12-28 | 最終更新日: | 2020-06-17 | 識別子(ID): | N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxo-pyrimidin-2-yl]propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide |
|
 | 1W3 | 表記: | 7-hydroxy-3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-4-methyl-2H-chromen-2-one | 組成式: | C20 H18 O4 | SMILES: | O=C2Oc1cc(O)ccc1C(=C2C=Cc3cc(c(O)c(c3)C)C)C | InChi: | InChI=1S/C20H18O4/c1-11-8-14(9-12(2)19(11)22)4-6-17-13(3)16-7-5-15(21)10-18(16)24-20(17)23/h4-10,21-22H,1-3H3/b6-4+ | 別名: | (E)-7-hydroxy-3-(4-hydroxy-3,5-dimethylstyryl)-4-methyl-2H-chromen-2-one | 定義日: | 2013-06-26 | 最終更新日: | 2020-06-17 | 公開日: | 2013-08-28 | 識別子(ID): | 7-hydroxy-3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-4-methyl-2H-chromen-2-one |
|
 | 1WU | 表記: | 6-[4-(aminomethyl)-2-fluorophenoxy]-2,1-benzoxaborol-1(3H)-ol | 組成式: | C14 H13 B F N O3 | SMILES: | Fc3cc(ccc3Oc2ccc1c(B(O)OC1)c2)CN | InChi: | InChI=1S/C14H13BFNO3/c16-13-5-9(7-17)1-4-14(13)20-11-3-2-10-8-19-15(18)12(10)6-11/h1-6,18H,7-8,17H2 | 別名: | 6-[4-(aminomethyl)-2-fluorophenoxy]benzo[c][1,2]oxaborol-1(3H)-ol | 定義日: | 2013-07-12 | 最終更新日: | 2020-06-17 | 公開日: | 2013-10-02 | 識別子(ID): | 6-[4-(aminomethyl)-2-fluorophenoxy]-2,1-benzoxaborol-1(3H)-ol |
|
 | 1X9 | 表記: | Cerulenin | 組成式: | C12 H17 N O3 | SMILES: | O=C(CC/C=C/C/C=C/C)C1OC1C(=O)N | InChi: | InChI=1S/C12H17NO3/c1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)/b3-2+,6-5+/t10-,11-/m1/s1 | 別名: | (2R,3S)-3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide | 定義日: | 2013-08-27 | 最終更新日: | 2020-06-17 | 公開日: | 2014-04-02 | 識別子(ID): | (2R,3S)-3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide |
|
 | 1XH | 表記: | 2-{[(1S,2R,4aS,8aR)-1,2,4a-trimethyl-5-methylidenedecahydronaphthalen-1-yl]methyl}cyclohexa-2,5-diene-1,4-dione | 組成式: | C21 H28 O2 | SMILES: | O=C1C=C(C(=O)C=C1)CC3(C(CCC2(C(=C)/CCCC23)C)C)C | InChi: | InChI=1S/C21H28O2/c1-14-6-5-7-19-20(14,3)11-10-15(2)21(19,4)13-16-12-17(22)8-9-18(16)23/h8-9,12,15,19H,1,5-7,10-11,13H2,2-4H3/t15-,19+,20-,21+/m1/s1 | 別名: | Arenarone | 定義日: | 2014-02-26 | 最終更新日: | 2020-06-17 | 公開日: | 2014-07-02 | 識別子(ID): | 2-{[(1S,2R,4aS,8aR)-1,2,4a-trimethyl-5-methylidenedecahydronaphthalen-1-yl]methyl}cyclohexa-2,5-diene-1,4-dione |
|
 | 1YK | 表記: | territrem B | 組成式: | C29 H34 O9 | SMILES: | O=C4OC(c1cc(OC)c(OC)c(OC)c1)=CC=5OC3(C(O)(C2(C(=O)C=CC(C2(O)CC3)(C)C)C)CC4=5)C | InChi: | InChI=1S/C29H34O9/c1-25(2)9-8-22(30)27(4)28(25,32)11-10-26(3)29(27,33)15-17-19(38-26)14-18(37-24(17)31)16-12-20(34-5)23(36-7)21(13-16)35-6/h8-9,12-14,32-33H,10-11,15H2,1-7H3/t26-,27+,28-,29-/m1/s1 | 別名: | (4aR,6aR,12aS,12bS)-4a,12a-dihydroxy-4,4,6a,12b-tetramethyl-9-(3,4,5-trimethoxyphenyl)-4a,6,6a,12,12a,12b-hexahydro-4H,
11H-benzo[f]pyrano[4,3-b]chromene-1,11(5H)-dione | 定義日: | 2013-08-05 | 最終更新日: | 2020-06-17 | 公開日: | 2013-10-16 | 識別子(ID): | (4aR,6aR,12aS,12bS)-4a,12a-dihydroxy-4,4,6a,12b-tetramethyl-9-(3,4,5-trimethoxyphenyl)-4a,6,6a,12,12a,12b-hexahydro-4H,11H-benzo[f]pyrano[4,3-b]chromene-1,11(5H)-dione |
|
 | 1YQ | 表記: | (2E)-3-(3-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile | 組成式: | C21 H16 Cl N3 O4 | SMILES: | N#CC=Cc3cc(Oc2ccc(Cl)cc2OCCN1C=CC(=O)NC1=O)ccc3 | InChi: | InChI=1S/C21H16ClN3O4/c22-16-6-7-18(29-17-5-1-3-15(13-17)4-2-9-23)19(14-16)28-12-11-25-10-8-20(26)24-21(25)27/h1-8,10,13-14H,11-12H2,(H,24,26,27)/b4-2+ | 別名: | (E)-3-(3-bromo-5-(4-chloro-2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile | 定義日: | 2013-08-07 | 最終更新日: | 2020-06-17 | 公開日: | 2013-12-25 | 識別子(ID): | (2E)-3-(3-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile |
|
 | 1YR | 表記: | (2E)-3-(3-bromo-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile | 組成式: | C21 H15 Br Cl N3 O4 | SMILES: | N#CC=Cc3cc(Oc2ccc(Cl)cc2OCCN1C=CC(=O)NC1=O)cc(Br)c3 | InChi: | InChI=1S/C21H15BrClN3O4/c22-15-10-14(2-1-6-24)11-17(12-15)30-18-4-3-16(23)13-19(18)29-9-8-26-7-5-20(27)25-21(26)28/h1-5,7,10-13H,8-9H2,(H,25,27,28)/b2-1+ | 別名: | (E)-3-(3-bromo-5-(4-chloro-2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile | 定義日: | 2013-08-07 | 最終更新日: | 2020-06-17 | 公開日: | 2013-12-25 | 識別子(ID): | (2E)-3-(3-bromo-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile |
|
 | 1Z7 | 表記: | N-(3-methylbutanoyl)-L-valyl-N-{(1S)-1-[(R)-[(1R)-1-benzyl-2-methoxy-2-oxoethoxy](hydroxy)phosphoryl]-3-methylbutyl}-L-
valinamide | 組成式: | C30 H50 N3 O8 P | SMILES: | O=C(NC(C(=O)NC(C(=O)NC(CC(C)C)P(=O)(OC(C(=O)OC)Cc1ccccc1)O)C(C)C)C(C)C)CC(C)C | InChi: | InChI=1S/C30H50N3O8P/c1-18(2)15-24(34)31-26(20(5)6)29(36)33-27(21(7)8)28(35)32-25(16-19(3)4)42(38,39)41-23(30(37)40-9)17-22-13-11-10-12-14-22/h10-14,18-21,23,25-27H,15-17H2,1-9H3,(H,31,34)(H,32,35)(H,33,36)(H,38,39)/t23-,25+,26-,27-/m0/s1 | 別名: | IVA-VAL-VAL-LP(0)FOMe | 定義日: | 2008-08-19 | 最終更新日: | 2020-06-17 | 識別子(ID): | N-(3-methylbutanoyl)-L-valyl-N-{(1R)-1-[(R)-hydroxy{[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]oxy}phosphoryl]-3-methylbutyl}-L-valinamide |
|
 | 1ZK | 表記: | 4-[(2R)-3-{[(1S,2S,3R,4S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-4-({(1S,2R)-2-methyl-1-[(pyridin-2-ylmethyl)carba
moyl]butyl}carbamoyl)hexyl]amino}-2-{[(naphthalen-1-yloxy)acetyl]amino}-3-oxopropyl]-1H-imidazol-3-ium | 組成式: | C45 H62 N7 O7 | SMILES: | O=C(NCc1ncccc1)C(NC(=O)C(C(C)C)C(O)C(O)C(NC(=O)C(NC(=O)COc3c2ccccc2ccc3)Cc4cnc[nH+]4)CC5CCCCC5)C(C)CC | InChi: | InChI=1S/C45H61N7O7/c1-5-29(4)40(45(58)48-25-32-18-11-12-21-47-32)52-44(57)39(28(2)3)42(55)41(54)35(22-30-14-7-6-8-15-30)51-43(56)36(23-33-24-46-27-49-33)50-38(53)26-59-37-20-13-17-31-16-9-10-19-34(31)37/h9-13,16-21,24,27-30,35-36,39-42,54-55H,5-8,14-15,22-23,25-26H2,1-4H3,(H,46,49)(H,48,58)(H,50,53)(H,51,56)(H,52,57)/p+1/t29-,35-,36-,39+,40-,41+,42+/m0/s1 | 別名: | U75875 | 定義日: | 2008-08-26 | 最終更新日: | 2020-06-17 | 識別子(ID): | 4-[(2S)-3-{[(1S,2R,3R,4R)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-4-({(1S,2S)-2-methyl-1-[(pyridin-2-ylmethyl)carbamoyl]butyl}carbamoyl)hexyl]amino}-2-{[(naphthalen-1-yloxy)acetyl]amino}-3-oxopropyl]-1H-imidazol-3-ium |
|
 | 20A | 表記: | 1-ethyl-N-(phenylmethyl)-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide | 組成式: | C21 H25 N5 O2 | SMILES: | O=C(NCc1ccccc1)c2c(c3c(nc2)n(nc3)CC)NC4CCOCC4 | InChi: | InChI=1S/C21H25N5O2/c1-2-26-20-17(14-24-26)19(25-16-8-10-28-11-9-16)18(13-22-20)21(27)23-12-15-6-4-3-5-7-15/h3-7,13-14,16H,2,8-12H2,1H3,(H,22,25)(H,23,27) | 別名: | N-benzyl-1-ethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide | 定義日: | 2008-05-17 | 最終更新日: | 2020-06-17 | 識別子(ID): | N-benzyl-1-ethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide |
|