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A1AZA
A1AZA
表記:2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-fluoro[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethan-1-one
組成式:C21 H20 F2 N4 O2
SMILES:Fc1cc(ccc1CC(=O)N1CCN(CC1)c1nc2ncc(F)cc2o1)C1CC1
InChi:InChI=1S/C21H20F2N4O2/c22-16-11-18-20(24-12-16)25-21(29-18)27-7-5-26(6-8-27)19(28)10-15-4-3-14(9-17(15)23)13-1-2-13/h3-4,9,11-13H,1-2,5-8,10H2
定義日:2024-07-12
最終更新日:2025-07-11
公開日:2025-07-16
識別子（ID）:2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-fluoro[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethan-1-one
A1BMF
A1BMF
表記:(2E,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1-thiol
組成式:C15 H26 S
SMILES:C/C(C)=CCCC(C)=CCCC(C)=CCS
InChi:InChI=1S/C15H26S/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+
定義日:2024-12-20
最終更新日:2025-07-11
公開日:2025-07-16
識別子（ID）:(2E,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1-thiol
P32
P32
表記:Cyanopindolol
組成式:C16 H21 N3 O2
SMILES:N#CC2=Nc1cccc(OCC(O)CNC(C)(C)C)c1C2
InChi:InChI=1S/C16H21N3O2/c1-16(2,3)18-9-12(20)10-21-15-6-4-5-14-13(15)7-11(8-17)19-14/h4-6,12,18,20H,7,9-10H2,1-3H3/t12-/m0/s1
別名:4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile
定義日:2008-05-09
最終更新日:2025-07-10
識別子（ID）:4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile
AS
AS
表記:2-DEOXY-ADENOSINE -5'-THIO-MONOPHOSPHATE
組成式:C10 H14 N5 O5 P S
SMILES:S=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O
InChi:InChI=1S/C10H14N5O5PS/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(20-7)2-19-21(17,18)22/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,22)/t5-,6+,7+/m0/s1
定義日:1999-07-08
最終更新日:2025-07-09
識別子（ID）:2'-deoxy-5'-O-thiophosphonoadenosine
NFA
NFA
表記:PHENYLALANINE AMIDE
組成式:C9 H12 N2 O
SMILES:O=C(N)C(N)Cc1ccccc1
InChi:InChI=1S/C9H12N2O/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H2,11,12)/t8-/m0/s1
定義日:1999-07-08
最終更新日:2025-07-07
識別子（ID）:L-phenylalaninamide
A1CBI
A1CBI
表記:1-[5-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-2,3-dihydroindol-1-yl]ethanone
組成式:C10 H10 N2 O3
SMILES:[O-][N+](=O)c1cc2CCN(c2cc1)C(C)=O
InChi:InChI=1S/C10H10N2O3/c1-7(13)11-5-4-8-6-9(12(14)15)2-3-10(8)11/h2-3,6H,4-5H2,1H3
定義日:2025-05-07
最終更新日:2025-07-04
公開日:2025-07-09
識別子（ID）:1-(5-nitro-2,3-dihydro-1H-indol-1-yl)ethan-1-one
A1CBJ
A1CBJ
表記:1-(propan-2-yl)-4-[(pyridin-2-yl)methyl]piperazine
組成式:C13 H21 N3
SMILES:CC(C)N1CCN(Cc2ccccn2)CC1
InChi:InChI=1S/C13H21N3/c1-12(2)16-9-7-15(8-10-16)11-13-5-3-4-6-14-13/h3-6,12H,7-11H2,1-2H3
定義日:2025-05-07
最終更新日:2025-07-04
公開日:2025-07-09
識別子（ID）:1-(propan-2-yl)-4-[(pyridin-2-yl)methyl]piperazine
A1CBL
A1CBL
表記:1-[(2-fluorophenyl)methyl]-4-(propan-2-yl)piperazine
組成式:C14 H21 F N2
SMILES:CC(C)N1CCN(Cc2ccccc2F)CC1
InChi:InChI=1S/C14H21FN2/c1-12(2)17-9-7-16(8-10-17)11-13-5-3-4-6-14(13)15/h3-6,12H,7-11H2,1-2H3
定義日:2025-05-07
最終更新日:2025-07-04
公開日:2025-07-09
識別子（ID）:1-[(2-fluorophenyl)methyl]-4-(propan-2-yl)piperazine
A1CBM
A1CBM
表記:2-(5-amino-1H-1,3-benzimidazol-1-yl)ethan-1-ol
組成式:C9 H11 N3 O
SMILES:Nc1cc2ncn(CCO)c2cc1
InChi:InChI=1S/C9H11N3O/c10-7-1-2-9-8(5-7)11-6-12(9)3-4-13/h1-2,5-6,13H,3-4,10H2
定義日:2025-05-07
最終更新日:2025-07-04
公開日:2025-07-09
識別子（ID）:2-(5-amino-1H-1,3-benzimidazol-1-yl)ethan-1-ol
MI7
MI7
表記:7-METHOXY-1H-INDAZOLE
組成式:C8 H8 N2 O
SMILES:n2cc1cccc(OC)c1n2
InChi:InChI=1S/C8H8N2O/c1-11-7-4-2-3-6-5-9-10-8(6)7/h2-5H,1H3,(H,9,10)
定義日:2005-10-17
最終更新日:2025-07-04
公開日:2025-07-09
識別子（ID）:7-methoxy-1H-indazole
A1EL9
A1EL9
表記:(2~{S})-2-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]butanoic acid
組成式:C33 H46 N2 O5
SMILES:CC[CH](NC(=O)N[C]1(C)CC[C]2(C)CC[C]3(C)C4=CC=C5C(=C(O)C(=O)C=C5[C]4(C)CC[C]3(C)[CH]2C1)C)C(O)=O
InChi:InChI=1S/C33H46N2O5/c1-8-22(27(38)39)34-28(40)35-30(4)13-11-29(3)12-15-32(6)24-10-9-20-19(2)26(37)23(36)17-21(20)31(24,5)14-16-33(32,7)25(29)18-30/h9-10,17,22,25,37H,8,11-16,18H2,1-7H3,(H,38,39)(H2,34,35,40)/t22?,25?,29-,30-,31+,32-,33+/m1/s1
定義日:2025-02-18
最終更新日:2025-07-04
公開日:2025-07-09
識別子（ID）:(2~{S})-2-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]butanoic acid
A1EOR
A1EOR
表記:(2~{R},4~{S})-2-[(1~{R})-1-[[(2~{R})-2-azanyl-2-(4-hydroxyphenyl)ethanoyl]amino]-2-oxidanyl-2-oxidanylidene-ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
組成式:C16 H21 N3 O6 S
SMILES:CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)[CH](N)c2ccc(O)cc2)C(O)=O
InChi:InChI=1S/C16H21N3O6S/c1-16(2)11(15(24)25)19-13(26-16)10(14(22)23)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,13,19-20H,17H2,1-2H3,(H,18,21)(H,22,23)(H,24,25)/t9-,10+,11+,13-/m1/s1
別名:Amoxicilloic acid
定義日:2025-04-04
最終更新日:2025-07-04
公開日:2025-07-09
識別子（ID）:(2~{R},4~{S})-2-[(1~{R})-1-[[(2~{R})-2-azanyl-2-(4-hydroxyphenyl)ethanoyl]amino]-2-oxidanyl-2-oxidanylidene-ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
A1I56
A1I56
表記:5-[[(3-methoxyphenyl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
組成式:C12 H11 N3 O3 S
SMILES:COc1cccc(NC=C2C(=O)NC(=S)NC2=O)c1
InChi:InChI=1S/C12H11N3O3S/c1-18-8-4-2-3-7(5-8)13-6-9-10(16)14-12(19)15-11(9)17/h2-6,13H,1H3,(H2,14,15,16,17,19)
定義日:2025-03-13
最終更新日:2025-07-04
公開日:2025-07-09
識別子（ID）:5-[[(3-methoxyphenyl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
A1I5U
A1I5U
表記:6-sulfanylidene-1,7-dihydropyrazolo[3,4-d]pyrimidin-4-one
組成式:C5 H4 N4 O S
SMILES:O=C1NC(=S)Nc2[nH]ncc12
InChi:InChI=1S/C5H4N4OS/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)
定義日:2025-03-11
最終更新日:2025-07-04
公開日:2025-07-09
識別子（ID）:6-sulfanylidene-1,7-dihydropyrazolo[3,4-d]pyrimidin-4-one
A1IGE
A1IGE
表記:(3~{a}~{S})-1-(2-methoxypyridin-4-yl)-6,7-dimethyl-3~{a}-oxidanyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
組成式:C19 H19 N3 O3
SMILES:COc1cc(ccn1)N2CC[C]3(O)C(=O)c4cc(C)c(C)cc4N=C23
InChi:InChI=1S/C19H19N3O3/c1-11-8-14-15(9-12(11)2)21-18-19(24,17(14)23)5-7-22(18)13-4-6-20-16(10-13)25-3/h4,6,8-10,24H,5,7H2,1-3H3/t19-/m1/s1
定義日:2024-06-27
最終更新日:2025-07-04
公開日:2025-07-09
識別子（ID）:(3~{a}~{S})-1-(2-methoxypyridin-4-yl)-6,7-dimethyl-3~{a}-oxidanyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
A1IGF
A1IGF
表記:1-(3-bromanyl-4-methyl-phenyl)-2-(4-methylphenyl)imidazole
組成式:C17 H15 Br N2
SMILES:Cc1ccc(cc1)c2nccn2c3ccc(C)c(Br)c3
InChi:InChI=1S/C17H15BrN2/c1-12-3-6-14(7-4-12)17-19-9-10-20(17)15-8-5-13(2)16(18)11-15/h3-11H,1-2H3
定義日:2024-06-28
最終更新日:2025-07-04
公開日:2025-07-09
識別子（ID）:1-(3-bromanyl-4-methyl-phenyl)-2-(4-methylphenyl)imidazole
A1IGQ
A1IGQ
表記:(4R)-4-phenyl-1,2-thiazolidine 1,1-dioxide
組成式:C9 H11 N O2 S
SMILES:O=[S]1(=O)C[CH](CN1)c2ccccc2
InChi:InChI=1S/C9H11NO2S/c11-13(12)7-9(6-10-13)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2/t9-/m0/s1
定義日:2024-07-01
最終更新日:2025-07-04
公開日:2025-07-09
識別子（ID）:(4~{R})-4-phenyl-1,2-thiazolidine 1,1-dioxide
A1IGR
A1IGR
表記:1H-indole-3-carboxamide
組成式:C9 H8 N2 O
SMILES:NC(=O)c1c[nH]c2ccccc12
InChi:InChI=1S/C9H8N2O/c10-9(12)7-5-11-8-4-2-1-3-6(7)8/h1-5,11H,(H2,10,12)
定義日:2024-07-01
最終更新日:2025-07-04
公開日:2025-07-09
識別子（ID）:1~{H}-indole-3-carboxamide
A1IGY
A1IGY
表記:(Z)-7-(4-chlorobenzyl)-1-(3-hydroxypropyl)-3-methyl-8-(4-(phenyldiazenyl)-3-(trifluoromethoxy)phenoxy)-3,7-dihydro-1H-purine-2,6-dione
組成式:C29 H24 Cl F3 N6 O5
SMILES:CN1C(=O)N(CCCO)C(=O)c2n(Cc3ccc(Cl)cc3)c(Oc4ccc(N=Nc5ccccc5)c(OC(F)(F)F)c4)nc12
InChi:InChI=1S/C29H24ClF3N6O5/c1-37-25-24(26(41)38(28(37)42)14-5-15-40)39(17-18-8-10-19(30)11-9-18)27(34-25)43-21-12-13-22(23(16-21)44-29(31,32)33)36-35-20-6-3-2-4-7-20/h2-4,6-13,16,40H,5,14-15,17H2,1H3/b36-35-
別名:7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-[4-[(~{Z})-phenyldiazenyl]-3-(trifluoromethyloxy)phenoxy]purine-2,6-dione
定義日:2024-07-02
最終更新日:2025-07-04
公開日:2025-07-09
識別子（ID）:7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-[4-[(~{Z})-phenyldiazenyl]-3-(trifluoromethyloxy)phenoxy]purine-2,6-dione
A1JCJ
A1JCJ
表記:~{N}-(3-chlorophenyl)-2-sulfanyl-ethanamide
組成式:C8 H8 Cl N O S
SMILES:SCC(=O)Nc1cccc(Cl)c1
InChi:InChI=1S/C8H8ClNOS/c9-6-2-1-3-7(4-6)10-8(11)5-12/h1-4,12H,5H2,(H,10,11)
定義日:2025-05-07
最終更新日:2025-07-04
公開日:2025-07-09
識別子（ID）:~{N}-(3-chlorophenyl)-2-sulfanyl-ethanamide
A1JCK
A1JCK
表記:~{N}-naphthalen-2-yl-2-sulfanyl-ethanamide
組成式:C12 H11 N O S
SMILES:SCC(=O)Nc1ccc2ccccc2c1
InChi:InChI=1S/C12H11NOS/c14-12(8-15)13-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,15H,8H2,(H,13,14)
別名:SGMHGVVTMOGJMX-UHFFFAOYSA-N
定義日:2025-05-07
最終更新日:2025-07-04
公開日:2025-07-09
識別子（ID）:~{N}-naphthalen-2-yl-2-sulfanyl-ethanamide
A1JF8
A1JF8
表記:~{N}-(5-cyclopentyl-1~{H}-pyrazol-3-yl)-4-fluoranyl-2-nitro-benzamide
組成式:C15 H15 F N4 O3
SMILES:[O-][N+](=O)c1cc(F)ccc1C(=O)Nc2cc([nH]n2)C3CCCC3
InChi:InChI=1S/C15H15FN4O3/c16-10-5-6-11(13(7-10)20(22)23)15(21)17-14-8-12(18-19-14)9-3-1-2-4-9/h5-9H,1-4H2,(H2,17,18,19,21)
定義日:2025-06-10
最終更新日:2025-07-04
公開日:2025-07-09
識別子（ID）:~{N}-(5-cyclopentyl-1~{H}-pyrazol-3-yl)-4-fluoranyl-2-nitro-benzamide
A1JGB
A1JGB
表記:~{N}-(2,3-dihydro-1~{H}-inden-2-yl)-2-pyridin-3-yl-~{N}-(thiophen-2-ylmethyl)ethanamide
組成式:C21 H20 N2 O S
SMILES:O=C(Cc1cccnc1)N(Cc2sccc2)C3Cc4ccccc4C3
InChi:InChI=1S/C21H20N2OS/c24-21(11-16-5-3-9-22-14-16)23(15-20-8-4-10-25-20)19-12-17-6-1-2-7-18(17)13-19/h1-10,14,19H,11-13,15H2
定義日:2025-06-11
最終更新日:2025-07-04
公開日:2025-07-09
識別子（ID）:~{N}-(2,3-dihydro-1~{H}-inden-2-yl)-2-pyridin-3-yl-~{N}-(thiophen-2-ylmethyl)ethanamide
A1JGE
A1JGE
表記:2-pyridin-3-ylquinazoline
組成式:C13 H9 N3
SMILES:c1ccc2nc(ncc2c1)c3cccnc3
InChi:InChI=1S/C13H9N3/c1-2-6-12-10(4-1)9-15-13(16-12)11-5-3-7-14-8-11/h1-9H
定義日:2025-06-11
最終更新日:2025-07-04
公開日:2025-07-09
識別子（ID）:2-pyridin-3-ylquinazoline
A1JGF
A1JGF
表記:[1-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]methyl]-1,2,4-triazol-3-yl]methanamine
組成式:C18 H17 Cl N6
SMILES:NCc1ncn(Cc2nc3cc(Cl)ccc3n2Cc4ccccc4)n1
InChi:InChI=1S/C18H17ClN6/c19-14-6-7-16-15(8-14)22-18(11-24-12-21-17(9-20)23-24)25(16)10-13-4-2-1-3-5-13/h1-8,12H,9-11,20H2
定義日:2025-06-11
最終更新日:2025-07-04
公開日:2025-07-09
識別子（ID）:[1-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]methyl]-1,2,4-triazol-3-yl]methanamine

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