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Q73
Q73
表記:(3~{S},5~{R},6~{E},8~{Z},10~{R},12~{E},14~{E},16~{S})-3,16-bis(azanyl)-8,10,12-trimethyl-16-[(2~{S},4~{R},5~{S},6~{S})-5-methyl-4-oxidanyl-6-[(~{E})-prop-1-enyl]oxan-2-yl]-5-oxidanyl-hexadeca-6,8,12,14-tetraenoic acid
組成式:C28 H46 N2 O5
SMILES:CC=C[CH]1O[CH](C[CH](O)[CH]1C)[CH](N)C=CC=C(C)C[CH](C)C=C(C)C=C[CH](O)C[CH](N)CC(O)=O
InChi:InChI=1S/C28H46N2O5/c1-6-8-26-21(5)25(32)17-27(35-26)24(30)10-7-9-18(2)13-20(4)14-19(3)11-12-23(31)15-22(29)16-28(33)34/h6-12,14,20-27,31-32H,13,15-17,29-30H2,1-5H3,(H,33,34)/b8-6+,10-7+,12-11+,18-9+,19-14-/t20-,21+,22+,23+,24+,25-,26+,27+/m1/s1
定義日:2023-03-24
最終更新日:2024-03-22
公開日:2024-03-27
識別子（ID）:(3~{S},5~{R},6~{E},8~{Z},10~{R},12~{E},14~{E},16~{S})-3,16-bis(azanyl)-8,10,12-trimethyl-16-[(2~{S},4~{R},5~{S},6~{S})-5-methyl-4-oxidanyl-6-[(~{E})-prop-1-enyl]oxan-2-yl]-5-oxidanyl-hexadeca-6,8,12,14-tetraenoic acid
WAL
WAL
表記:(4M)-4-{(4R)-3-[(2S)-2-methylbutyl][1,2,4]triazolo[4,3-a]pyridin-7-yl}-N-(1-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine
組成式:C19 H22 N8
SMILES:Cn1nccc1Nc1nccc(n1)c1cc2nnc(CC(C)CC)n2cc1
InChi:InChI=1S/C19H22N8/c1-4-13(2)11-17-24-25-18-12-14(7-10-27(17)18)15-5-8-20-19(22-15)23-16-6-9-21-26(16)3/h5-10,12-13H,4,11H2,1-3H3,(H,20,22,23)/t13-/m0/s1
定義日:2023-09-28
最終更新日:2024-03-22
公開日:2024-03-27
識別子（ID）:(4M)-4-{(4R)-3-[(2S)-2-methylbutyl][1,2,4]triazolo[4,3-a]pyridin-7-yl}-N-(1-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine
Q9F
Q9F
表記:4-(4-chlorophenyl)-2-oxidanyl-6-[(4-phenylphenyl)sulfonylamino]benzoic acid
組成式:C25 H18 Cl N O5 S
SMILES:OC(=O)c1c(O)cc(cc1N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c4ccc(Cl)cc4
InChi:InChI=1S/C25H18ClNO5S/c26-20-10-6-18(7-11-20)19-14-22(24(25(29)30)23(28)15-19)27-33(31,32)21-12-8-17(9-13-21)16-4-2-1-3-5-16/h1-15,27-28H,(H,29,30)
定義日:2023-03-28
最終更新日:2024-03-22
公開日:2024-03-27
識別子（ID）:4-(4-chlorophenyl)-2-oxidanyl-6-[(4-phenylphenyl)sulfonylamino]benzoic acid
Q9L
Q9L
表記:4-(4-chlorophenyl)-2-[(4-phenylphenyl)sulfonylamino]benzoic acid
組成式:C25 H18 Cl N O4 S
SMILES:OC(=O)c1ccc(cc1N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c4ccc(Cl)cc4
InChi:InChI=1S/C25H18ClNO4S/c26-21-11-6-19(7-12-21)20-10-15-23(25(28)29)24(16-20)27-32(30,31)22-13-8-18(9-14-22)17-4-2-1-3-5-17/h1-16,27H,(H,28,29)
定義日:2023-03-28
最終更新日:2024-03-22
公開日:2024-03-27
識別子（ID）:4-(4-chlorophenyl)-2-[(4-phenylphenyl)sulfonylamino]benzoic acid
Q9R
Q9R
表記:5-(3-chloranyl-4-fluoranyl-phenyl)-2-oxidanyl-3-[(4-phenylphenyl)sulfonylamino]benzoic acid
組成式:C25 H17 Cl F N O5 S
SMILES:OC(=O)c1cc(cc(N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c1O)c4ccc(F)c(Cl)c4
InChi:InChI=1S/C25H17ClFNO5S/c26-21-13-17(8-11-22(21)27)18-12-20(25(30)31)24(29)23(14-18)28-34(32,33)19-9-6-16(7-10-19)15-4-2-1-3-5-15/h1-14,28-29H,(H,30,31)
定義日:2023-03-28
最終更新日:2024-03-22
公開日:2024-03-27
識別子（ID）:5-(3-chloranyl-4-fluoranyl-phenyl)-2-oxidanyl-3-[(4-phenylphenyl)sulfonylamino]benzoic acid
QA0
QA0
表記:5-(4-chlorophenyl)-3-[(4-phenylphenyl)sulfonylamino]phthalic acid
組成式:C26 H18 Cl N O6 S
SMILES:OC(=O)c1cc(cc(N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c1C(O)=O)c4ccc(Cl)cc4
InChi:InChI=1S/C26H18ClNO6S/c27-20-10-6-18(7-11-20)19-14-22(25(29)30)24(26(31)32)23(15-19)28-35(33,34)21-12-8-17(9-13-21)16-4-2-1-3-5-16/h1-15,28H,(H,29,30)(H,31,32)
定義日:2023-03-28
最終更新日:2024-03-22
公開日:2024-03-27
識別子（ID）:5-(4-chlorophenyl)-3-[(4-phenylphenyl)sulfonylamino]phthalic acid
QA3
QA3
表記:4-(4-chloranyl-2-oxidanyl-phenyl)-2-[(4-phenylphenyl)sulfonylamino]benzoic acid
組成式:C25 H18 Cl N O5 S
SMILES:OC(=O)c1ccc(cc1N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c4ccc(Cl)cc4O
InChi:InChI=1S/C25H18ClNO5S/c26-19-9-13-21(24(28)15-19)18-8-12-22(25(29)30)23(14-18)27-33(31,32)20-10-6-17(7-11-20)16-4-2-1-3-5-16/h1-15,27-28H,(H,29,30)
定義日:2023-03-28
最終更新日:2024-03-22
公開日:2024-03-27
識別子（ID）:4-(4-chloranyl-2-oxidanyl-phenyl)-2-[(4-phenylphenyl)sulfonylamino]benzoic acid
QAI
QAI
表記:5-(4-chlorophenyl)-3-[(4-phenylphenyl)sulfonylamino]thiophene-2-carboxylic acid
組成式:C23 H16 Cl N O4 S2
SMILES:OC(=O)c1sc(cc1N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c4ccc(Cl)cc4
InChi:InChI=1S/C23H16ClNO4S2/c24-18-10-6-17(7-11-18)21-14-20(22(30-21)23(26)27)25-31(28,29)19-12-8-16(9-13-19)15-4-2-1-3-5-15/h1-14,25H,(H,26,27)
定義日:2023-03-29
最終更新日:2024-03-22
公開日:2024-03-27
識別子（ID）:5-(4-chlorophenyl)-3-[(4-phenylphenyl)sulfonylamino]thiophene-2-carboxylic acid
QB2
QB2
表記:2-[(2R,3R,4S,5R,6R)-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-5-oxidanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-yl]oxyethanoic acid
組成式:C22 H18 Cl2 F3 N3 O6 S
SMILES:OC[CH]1O[CH](Sc2ccc(Cl)c(Cl)c2)[CH](OCC(O)=O)[CH]([CH]1O)n3cc(nn3)c4cc(F)c(F)c(F)c4
InChi:InChI=1S/C22H18Cl2F3N3O6S/c23-11-2-1-10(5-12(11)24)37-22-21(35-8-17(32)33)19(20(34)16(7-31)36-22)30-6-15(28-29-30)9-3-13(25)18(27)14(26)4-9/h1-6,16,19-22,31,34H,7-8H2,(H,32,33)/t16-,19+,20+,21-,22-/m1/s1
定義日:2023-03-29
最終更新日:2024-03-22
公開日:2024-03-27
識別子（ID）:2-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-5-oxidanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-yl]oxyethanoic acid
87I
87I
表記:(2R,4R)-1-methyl-4-hydroxyl-pyrrolidine-2-carboxylic acid
組成式:C6 H11 N O3
SMILES:CN1C[CH](O)C[CH]1C(O)=O
InChi:InChI=1S/C6H11NO3/c1-7-3-4(8)2-5(7)6(9)10/h4-5,8H,2-3H2,1H3,(H,9,10)/t4-,5-/m1/s1
定義日:2023-03-17
最終更新日:2024-03-22
公開日:2024-03-27
識別子（ID）:(2~{R},4~{R})-1-methyl-4-oxidanyl-pyrrolidine-2-carboxylic acid
6IW
6IW
表記:(2S,4S)-1-methyl-4-oxidanyl-pyrrolidine-2-carboxylic acid
組成式:C6 H11 N O3
SMILES:CN1C[CH](O)C[CH]1C(O)=O
InChi:InChI=1S/C6H11NO3/c1-7-3-4(8)2-5(7)6(9)10/h4-5,8H,2-3H2,1H3,(H,9,10)/t4-,5-/m0/s1
定義日:2023-02-16
最終更新日:2024-03-22
公開日:2024-03-27
識別子（ID）:(2~{S},4~{S})-1-methyl-4-oxidanyl-pyrrolidine-2-carboxylic acid
BGM
BGM
表記:8-BROMO-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE
組成式:C10 H13 Br N5 O7 P
SMILES:O=P(O)(O)OCC1OC(CC1O)n1c(Br)nc2c1N=C(N)NC2=O
InChi:InChI=1S/C10H13BrN5O7P/c11-9-13-6-7(14-10(12)15-8(6)18)16(9)5-1-3(17)4(23-5)2-22-24(19,20)21/h3-5,17H,1-2H2,(H2,19,20,21)(H3,12,14,15,18)/t3-,4+,5+/m0/s1
定義日:2002-11-21
最終更新日:2024-03-21
識別子（ID）:8-bromo-2'-deoxyguanosine 5'-(dihydrogen phosphate)
XB9
XB9
表記:N-carbamoyl-2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosylamine
組成式:C6 H13 N2 O7 P
SMILES:OC1CC(NC(=O)N)OC1COP(=O)(O)O
InChi:InChI=1S/C6H13N2O7P/c7-6(10)8-5-1-3(9)4(15-5)2-14-16(11,12)13/h3-5,9H,1-2H2,(H3,7,8,10)(H2,11,12,13)/t3-,4+,5+/m0/s1
定義日:2023-10-27
最終更新日:2024-03-15
公開日:2024-03-20
識別子（ID）:N-carbamoyl-2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosylamine
ZKE
ZKE
表記:Mevaldyl-Coenzyme A
組成式:C27 H46 N7 O20 P3 S
SMILES:O=C(O)CC(C)(O)CC(O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O
InChi:InChI=1S/C27H46N7O20P3S/c1-26(2,21(40)24(41)30-5-4-15(35)29-6-7-58-17(38)9-27(3,42)8-16(36)37)11-51-57(48,49)54-56(46,47)50-10-14-20(53-55(43,44)45)19(39)25(52-14)34-13-33-18-22(28)31-12-32-23(18)34/h12-14,17,19-21,25,38-40,42H,4-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/t14-,17-,19-,20-,21+,25-,27+/m1/s1
別名:(3R,5R,9R,19R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9,19,21-pentahydroxy-8,8,21-trimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-18-thia-11,15-diaza-3lambda~5~,5lambda~5~-diphosphatricosan-23-oic acid (non-preferred name)
定義日:2023-06-27
最終更新日:2024-03-15
公開日:2024-03-20
識別子（ID）:(3R,5R,9R,19R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9,19,21-pentahydroxy-8,8,21-trimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-18-thia-11,15-diaza-3lambda~5~,5lambda~5~-diphosphatricosan-23-oic acid (non-preferred name)
OH9
OH9
表記:beta-methyl-adenosine diphosphate
組成式:C11 H17 N5 O10 P2
SMILES:CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
InChi:InChI=1S/C11H17N5O10P2/c1-23-27(19,20)26-28(21,22)24-2-5-7(17)8(18)11(25-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H,19,20)(H,21,22)(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
別名:[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] methyl hydrogen phosphate
定義日:2022-09-07
最終更新日:2024-03-15
公開日:2024-03-20
識別子（ID）:[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] methyl hydrogen phosphate
VCF
VCF
表記:2-chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine
組成式:C18 H18 Cl N3 O
SMILES:CN1CCN(CC1)C2=Nc3ccc(Cl)cc3Oc4ccccc24
InChi:InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-4-2-3-5-16(14)23-17-12-13(19)6-7-15(17)20-18/h2-7,12H,8-11H2,1H3
別名:VUF-6884
定義日:2023-07-14
最終更新日:2024-03-15
公開日:2024-03-20
識別子（ID）:2-chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine
X1W
X1W
表記:N5-[(3S,4R)-4-phenylmethoxypyrrolidin-3-yl]-N7-(phenylmethyl)-3-propan-2-yl-pyrazolo[1,5-a]pyrimidine-5,7-diamine
組成式:C27 H32 N6 O
SMILES:CC(C)c1cnn2c(NCc3ccccc3)cc(N[CH]4CNC[CH]4OCc5ccccc5)nc12
InChi:InChI=1S/C27H32N6O/c1-19(2)22-15-30-33-26(29-14-20-9-5-3-6-10-20)13-25(32-27(22)33)31-23-16-28-17-24(23)34-18-21-11-7-4-8-12-21/h3-13,15,19,23-24,28-29H,14,16-18H2,1-2H3,(H,31,32)/t23-,24+/m0/s1
定義日:2023-05-30
最終更新日:2024-03-15
公開日:2024-03-20
識別子（ID）:~{N}5-[(3~{S},4~{R})-4-phenylmethoxypyrrolidin-3-yl]-~{N}7-(phenylmethyl)-3-propan-2-yl-pyrazolo[1,5-a]pyrimidine-5,7-diamine
VCL
VCL
表記:3-(1~{H}-imidazol-4-yl)propyl ~{N}'-[(4-chlorophenyl)methyl]carbamimidothioate
組成式:C14 H17 Cl N4 S
SMILES:NC(SCCCc1c[nH]cn1)=NCc2ccc(Cl)cc2
InChi:InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)
別名:Clobenpropit
定義日:2023-07-14
最終更新日:2024-03-15
公開日:2024-03-20
識別子（ID）:3-(1~{H}-imidazol-4-yl)propyl ~{N}'-[(4-chlorophenyl)methyl]carbamimidothioate
OHR
OHR
表記:2'-deoxyadenosine 5'-diphosphoribose
組成式:C15 H23 N5 O13 P2
SMILES:Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH](O)[CH](O)[CH]4O)O3
InChi:InChI=1S/C15H23N5O13P2/c16-13-10-14(18-4-17-13)20(5-19-10)9-1-6(21)7(31-9)2-29-34(25,26)33-35(27,28)30-3-8-11(22)12(23)15(24)32-8/h4-9,11-12,15,21-24H,1-3H2,(H,25,26)(H,27,28)(H2,16,17,18)/t6-,7+,8+,9+,11+,12+,15-/m0/s1
別名:[[(2~{R},3~{S},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
定義日:2022-09-07
最終更新日:2024-03-15
公開日:2024-03-20
識別子（ID）:[[(2~{R},3~{S},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
OI3
OI3
表記:2'-deoxyadenosine 5'-fluoro-diphosphoribose
組成式:C15 H22 F N5 O13 P2
SMILES:Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3F
InChi:InChI=1S/C15H22FN5O13P2/c16-7-9(22)5(32-14(7)21-4-20-8-12(17)18-3-19-13(8)21)1-30-35(26,27)34-36(28,29)31-2-6-10(23)11(24)15(25)33-6/h3-7,9-11,14-15,22-25H,1-2H2,(H,26,27)(H,28,29)(H2,17,18,19)/t5-,6-,7-,9-,10-,11-,14-,15-/m1/s1
別名:[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
定義日:2022-09-07
最終更新日:2024-03-15
公開日:2024-03-20
識別子（ID）:[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
X2H
X2H
表記:~{N}5-(6-azanylhexyl)-~{N}7-(phenylmethyl)-3-propan-2-yl-pyrazolo[1,5-a]pyrimidine-5,7-diamine
組成式:C22 H32 N6
SMILES:CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12
InChi:InChI=1S/C22H32N6/c1-17(2)19-16-26-28-21(25-15-18-10-6-5-7-11-18)14-20(27-22(19)28)24-13-9-4-3-8-12-23/h5-7,10-11,14,16-17,25H,3-4,8-9,12-13,15,23H2,1-2H3,(H,24,27)
定義日:2023-05-31
最終更新日:2024-03-15
公開日:2024-03-20
識別子（ID）:~{N}5-(6-azanylhexyl)-~{N}7-(phenylmethyl)-3-propan-2-yl-pyrazolo[1,5-a]pyrimidine-5,7-diamine
OI6
OI6
表記:8-bromoadenosine 5'-diphosphoribose
組成式:C15 H22 Br N5 O14 P2
SMILES:Nc1ncnc2n([CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O)c(Br)nc12
InChi:InChI=1S/C15H22BrN5O14P2/c16-15-20-6-11(17)18-3-19-12(6)21(15)13-9(24)7(22)4(33-13)1-31-36(27,28)35-37(29,30)32-2-5-8(23)10(25)14(26)34-5/h3-5,7-10,13-14,22-26H,1-2H2,(H,27,28)(H,29,30)(H2,17,18,19)/t4-,5-,7-,8-,9-,10-,13-,14-/m1/s1
別名:[[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-8-bromanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
定義日:2022-09-07
最終更新日:2024-03-15
公開日:2024-03-20
識別子（ID）:[[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-8-bromanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
OIG
OIG
表記:beta-ethyl-adenosine diphosphate
組成式:C12 H19 N5 O10 P2
SMILES:CCO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
InChi:InChI=1S/C12H19N5O10P2/c1-2-24-28(20,21)27-29(22,23)25-3-6-8(18)9(19)12(26-6)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18-19H,2-3H2,1H3,(H,20,21)(H,22,23)(H2,13,14,15)/t6-,8-,9-,12-/m1/s1
別名:[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] ethyl hydrogen phosphate
定義日:2022-09-07
最終更新日:2024-03-15
公開日:2024-03-20
識別子（ID）:[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] ethyl hydrogen phosphate
X2Z
X2Z
表記:~{N}7-(phenylmethyl)-~{N}5-[(3~{S})-piperidin-3-yl]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidine-5,7-diamine
組成式:C21 H28 N6
SMILES:CC(C)c1cnn2c(NCc3ccccc3)cc(N[CH]4CCCNC4)nc12
InChi:InChI=1S/C21H28N6/c1-15(2)18-14-24-27-20(23-12-16-7-4-3-5-8-16)11-19(26-21(18)27)25-17-9-6-10-22-13-17/h3-5,7-8,11,14-15,17,22-23H,6,9-10,12-13H2,1-2H3,(H,25,26)/t17-/m0/s1
定義日:2023-05-31
最終更新日:2024-03-15
公開日:2024-03-20
識別子（ID）:~{N}7-(phenylmethyl)-~{N}5-[(3~{S})-piperidin-3-yl]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidine-5,7-diamine
U74
U74
表記:3-cyclopropyl-4-(4-methoxyphenyl)-1~{H}-pyrazolo[4,3-c]pyridine
組成式:C16 H15 N3 O
SMILES:COc1ccc(cc1)c2nccc3[nH]nc(C4CC4)c23
InChi:InChI=1S/C16H15N3O/c1-20-12-6-4-10(5-7-12)15-14-13(8-9-17-15)18-19-16(14)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,18,19)
定義日:2023-08-30
最終更新日:2024-03-15
公開日:2024-03-20
識別子（ID）:3-cyclopropyl-4-(4-methoxyphenyl)-1~{H}-pyrazolo[4,3-c]pyridine

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件を2025-10-22に公開中

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