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9IV
9IV
表記:~{N}-[4-(2-chloranylphenoxy)phenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine
組成式:C18 H13 Cl N4 O
SMILES:Clc1ccccc1Oc2ccc(Nc3ncnc4[nH]ccc34)cc2
InChi:InChI=1S/C18H13ClN4O/c19-15-3-1-2-4-16(15)24-13-7-5-12(6-8-13)23-18-14-9-10-20-17(14)21-11-22-18/h1-11H,(H2,20,21,22,23)
定義日:2021-11-12
最終更新日:2022-08-22
公開日:2022-03-09
識別子（ID）:~{N}-[4-(2-chloranylphenoxy)phenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine
9IY
9IY
表記:[(2~{R},3~{S},4~{R},5~{S})-3,4-bis(oxidanyl)-5-[4-[[[4-(phenylsulfonyl)phenyl]carbamoylamino]methyl]phenyl]oxolan-2-yl]methyl dihydrogen phosphate
組成式:C25 H27 N2 O10 P S
SMILES:O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)c2ccc(CNC(=O)Nc3ccc(cc3)[S](=O)(=O)c4ccccc4)cc2
InChi:InChI=1S/C25H27N2O10PS/c28-22-21(15-36-38(31,32)33)37-24(23(22)29)17-8-6-16(7-9-17)14-26-25(30)27-18-10-12-20(13-11-18)39(34,35)19-4-2-1-3-5-19/h1-13,21-24,28-29H,14-15H2,(H2,26,27,30)(H2,31,32,33)/t21-,22-,23-,24+/m1/s1
定義日:2021-11-15
最終更新日:2022-08-22
公開日:2021-11-24
識別子（ID）:[(2~{R},3~{S},4~{R},5~{S})-3,4-bis(oxidanyl)-5-[4-[[[4-(phenylsulfonyl)phenyl]carbamoylamino]methyl]phenyl]oxolan-2-yl]methyl dihydrogen phosphate
D1O
D1O
表記:tri-(mi2-acetato-(O, O')-diaqua-dirhodium(II, II)
組成式:C6 H14 O8 Rh2
SMILES:C[CH]1O[Rh]23(O)O[CH](C)O[Rh]2(O)(O1)O[CH](C)O3
InChi:InChI=1S/3C2H4O2.2H2O.2Rh/c3*1-2(3)4
定義日:2021-12-14
最終更新日:2022-08-22
公開日:2022-06-08
識別子（ID）:3,7,10-trimethyl-1,5-bis(oxidanyl)-2,4,6,8,9,11-hexaoxa-1$l^{5},5$l^{5}-dirhodatricyclo[3.3.3.0^{1,5}]undecane
D5P
D5P
表記:5-(2-amino-1-ethyl)thio-3-cyclobutyl-7-[4-(pyrazol-1-yl)benzyl]amino-1(2)H-pyrazolo[4,3-d]pyrimidine
組成式:C21 H24 N8 S
SMILES:NCCSc1nc(NCc2ccc(cc2)n3cccn3)c4[nH]nc(C5CCC5)c4n1
InChi:InChI=1S/C21H24N8S/c22-9-12-30-21-25-18-17(15-3-1-4-15)27-28-19(18)20(26-21)23-13-14-5-7-16(8-6-14)29-11-2-10-24-29/h2,5-8,10-11,15H,1,3-4,9,12-13,22H2,(H,27,28)(H,23,25,26)
別名:5-(2-azanylethylsulfanyl)-3-cyclobutyl-N-[(4-pyrazol-1-ylphenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidin-7-amine
定義日:2021-12-14
最終更新日:2022-08-22
公開日:2022-07-06
識別子（ID）:5-(2-azanylethylsulfanyl)-3-cyclobutyl-~{N}-[(4-pyrazol-1-ylphenyl)methyl]-1~{H}-pyrazolo[4,3-d]pyrimidin-7-amine
D6B
D6B
表記:methyl 3-[(4-methyl-1,3-thiazol-2-yl)-(4-sulfamoylphenyl)amino]propanoate
組成式:C14 H17 N3 O4 S2
SMILES:COC(=O)CCN(c1scc(C)n1)c2ccc(cc2)[S](N)(=O)=O
InChi:InChI=1S/C14H17N3O4S2/c1-10-9-22-14(16-10)17(8-7-13(18)21-2)11-3-5-12(6-4-11)23(15,19)20/h3-6,9H,7-8H2,1-2H3,(H2,15,19,20)
定義日:2021-12-14
最終更新日:2022-08-22
公開日:2022-05-04
識別子（ID）:methyl 3-[(4-methyl-1,3-thiazol-2-yl)-(4-sulfamoylphenyl)amino]propanoate
KMC
KMC
表記:galangin
組成式:C15 H10 O5
SMILES:Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccccc3)O
InChi:InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H
別名:3,5,7-tris(oxidanyl)-2-phenyl-chromen-4-one
定義日:2022-05-31
最終更新日:2022-08-22
公開日:2022-07-20
識別子（ID）:3,5,7-tris(oxidanyl)-2-phenyl-chromen-4-one
KML
KML
表記:pinocembrin
組成式:C15 H12 O4
SMILES:Oc1cc(O)c2C(=O)C[CH](Oc2c1)c3ccccc3
InChi:InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1
別名:(2~{S})-5,7-bis(oxidanyl)-2-phenyl-2,3-dihydrochromen-4-one
定義日:2022-05-31
最終更新日:2022-08-22
公開日:2022-07-20
識別子（ID）:(2~{S})-5,7-bis(oxidanyl)-2-phenyl-2,3-dihydrochromen-4-one
KMU
KMU
表記:2-[(2~{S})-2-(aminomethyl)-5-chloranyl-2-phenyl-3~{H}-1-benzofuran-4-yl]benzamide
組成式:C22 H19 Cl N2 O2
SMILES:NC[C]1(Cc2c(O1)ccc(Cl)c2c3ccccc3C(N)=O)c4ccccc4
InChi:InChI=1S/C22H19ClN2O2/c23-18-10-11-19-17(20(18)15-8-4-5-9-16(15)21(25)26)12-22(13-24,27-19)14-6-2-1-3-7-14/h1-11H,12-13,24H2,(H2,25,26)/t22-/m1/s1
定義日:2022-05-31
最終更新日:2022-08-22
公開日:2022-08-17
識別子（ID）:2-[(2~{S})-2-(aminomethyl)-5-chloranyl-2-phenyl-3~{H}-1-benzofuran-4-yl]benzamide
KNE
KNE
表記:[(2~{S})-5-chloranyl-2-phenyl-3~{H}-1-benzofuran-2-yl]methanamine
組成式:C15 H14 Cl N O
SMILES:NC[C]1(Cc2cc(Cl)ccc2O1)c3ccccc3
InChi:InChI=1S/C15H14ClNO/c16-13-6-7-14-11(8-13)9-15(10-17,18-14)12-4-2-1-3-5-12/h1-8H,9-10,17H2/t15-/m1/s1
定義日:2022-05-31
最終更新日:2022-08-22
公開日:2022-08-17
識別子（ID）:[(2~{S})-5-chloranyl-2-phenyl-3~{H}-1-benzofuran-2-yl]methanamine
KNR
KNR
表記:1-[(8~{R},15~{S},18~{S})-18-(4-azanylbutyl)-15-butyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(26),22,24-trien-8-yl]guanidine
組成式:C30 H49 N9 O5
SMILES:CCCC[CH]1NC(=O)[CH](CCCCN)NC(=O)Cc2cccc(CNC(=O)CNC(=O)[CH](CCCCNC1=O)NC(N)=N)c2
InChi:InChI=1S/C30H49N9O5/c1-2-3-11-22-27(42)34-15-7-5-13-23(39-30(32)33)28(43)36-19-26(41)35-18-21-10-8-9-20(16-21)17-25(40)37-24(29(44)38-22)12-4-6-14-31/h8-10,16,22-24H,2-7,11-15,17-19,31H2,1H3,(H,34,42)(H,35,41)(H,36,43)(H,37,40)(H,38,44)(H4,32,33,39)/t22-,23+,24-/m0/s1
定義日:2022-05-31
最終更新日:2022-08-22
公開日:2022-07-13
識別子（ID）:1-[(8~{R},15~{S},18~{S})-18-(4-azanylbutyl)-15-butyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(26),22,24-trien-8-yl]guanidine
KQU
KQU
表記:4-[(2R)-3-butylselanyl-2-oxidanyl-propyl]selanylbenzenesulfonamide
組成式:C13 H21 N O3 S Se2
SMILES:CCCC[Se]C[CH](O)C[Se]c1ccc(cc1)[S](N)(=O)=O
InChi:InChI=1S/C13H21NO3SSe2/c1-2-3-8-19-9-11(15)10-20-13-6-4-12(5-7-13)18(14,16)17/h4-7,11,15H,2-3,8-10H2,1H3,(H2,14,16,17)/t11-/m1/s1
別名:4-((3-(butylselanyl)-2-hydroxypropyl)selanyl)benzenesulfonamide
定義日:2022-06-06
最終更新日:2022-08-22
公開日:2022-06-22
識別子（ID）:4-[(2~{R})-3-butylselanyl-2-oxidanyl-propyl]selanylbenzenesulfonamide
KR6
KR6
表記:4-[(2S)-3-butylselanyl-2-oxidanyl-propyl]selanylbenzenesulfonamide
組成式:C13 H21 N O3 S Se2
SMILES:CCCC[Se]C[CH](O)C[Se]c1ccc(cc1)[S](N)(=O)=O
InChi:InChI=1S/C13H21NO3SSe2/c1-2-3-8-19-9-11(15)10-20-13-6-4-12(5-7-13)18(14,16)17/h4-7,11,15H,2-3,8-10H2,1H3,(H2,14,16,17)/t11-/m0/s1
定義日:2022-06-06
最終更新日:2022-08-22
公開日:2022-06-22
識別子（ID）:4-[(2~{S})-3-butylselanyl-2-oxidanyl-propyl]selanylbenzenesulfonamide
0I6
0I6
表記:4-[(2R)-2-oxidanyl-3-(3,4,5-trimethylphenyl)tellanyl-propyl]selanylbenzenesulfonamide
組成式:C18 H23 N O6 S Se Te
SMILES:COc1cc([Te]C[CH](O)C[Se]c2ccc(cc2)[S](N)(=O)=O)cc(OC)c1OC
InChi:InChI=1S/C18H23NO6SSeTe/c1-23-16-8-15(9-17(24-2)18(16)25-3)28-11-12(20)10-27-14-6-4-13(5-7-14)26(19,21)22/h4-9,12,20H,10-11H2,1-3H3,(H2,19,21,22)/t12-/m1/s1
別名:4-((3-(butylselanyl)-2-hydroxypropyl)selanyl)benzenesulfonamide
定義日:2021-06-07
最終更新日:2022-08-22
公開日:2022-06-22
識別子（ID）:4-[(2~{R})-2-oxidanyl-3-(3,4,5-trimethoxyphenyl)tellanyl-propyl]selanylbenzenesulfonamide
E3R
E3R
表記:7-[(6aR,9R,10aR)-1-Hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-3-yl]- 7-methyloctanenitrile
組成式:C25 H37 N O3
SMILES:CC(C)(CCCCCC#N)c1cc(O)c2[CH]3C[CH](CO)CC[CH]3C(C)(C)Oc2c1
InChi:InChI=1S/C25H37NO3/c1-24(2,11-7-5-6-8-12-26)18-14-21(28)23-19-13-17(16-27)9-10-20(19)25(3,4)29-22(23)15-18/h14-15,17,19-20,27-28H,5-11,13,16H2,1-4H3/t17-,19-,20-/m1/s1
定義日:2022-04-17
最終更新日:2022-08-22
公開日:2022-04-27
識別子（ID）:7-[(6~{a}~{R},9~{R},10~{a}~{R})-9-(hydroxymethyl)-6,6-dimethyl-1-oxidanyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-3-yl]-7-methyl-octanenitrile
E8Q
E8Q
表記:2-azanylethyl-[(2~{S})-2,3-di(hexadecanoyloxy)propoxy]phosphinic acid
組成式:C37 H74 N O7 P
SMILES:CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)CCN)OC(=O)CCCCCCCCCCCCCCC
InChi:InChI=1S/C37H74NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(34-44-46(41,42)32-31-38)45-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42)/t35-/m0/s1
定義日:2022-01-04
最終更新日:2022-08-22
公開日:2022-02-02
識別子（ID）:2-azanylethyl-[(2~{S})-2,3-di(hexadecanoyloxy)propoxy]phosphinic acid
EBL
EBL
表記:(2~{S})-10-[[5-chloranyl-2-[(3~{S},5~{R})-3-methyl-5-oxidanyl-piperidin-1-yl]pyrimidin-4-yl]amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one
組成式:C26 H29 Cl F2 N6 O3
SMILES:C[CH]1C[CH](O)CN(C1)c2ncc(Cl)c(Nc3ccc4N(C)C(=O)C5=C(N[CH](C6CC6)C(F)(F)CO5)c4c3)n2
InChi:InChI=1S/C26H29ClF2N6O3/c1-13-7-16(36)11-35(10-13)25-30-9-18(27)23(33-25)31-15-5-6-19-17(8-15)20-21(24(37)34(19)2)38-12-26(28,29)22(32-20)14-3-4-14/h5-6,8-9,13-14,16,22,32,36H,3-4,7,10-12H2,1-2H3,(H,30,31,33)/t13-,16+,22-/m0/s1
定義日:2022-01-05
最終更新日:2022-08-22
公開日:2022-06-15
識別子（ID）:(2~{S})-10-[[5-chloranyl-2-[(3~{S},5~{R})-3-methyl-5-oxidanyl-piperidin-1-yl]pyrimidin-4-yl]amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one
LH0
LH0
表記:~{N}-[5-[2-[2,6-bis(chloranyl)phenyl]-5-[bis(fluoranyl)methyl]pyrazol-3-yl]-1,3-thiazol-2-yl]-2-methyl-propanamide
組成式:C17 H14 Cl2 F2 N4 O S
SMILES:CC(C)C(=O)Nc1sc(cn1)c2cc(nn2c3c(Cl)cccc3Cl)C(F)F
InChi:InChI=1S/C17H14Cl2F2N4OS/c1-8(2)16(26)23-17-22-7-13(27-17)12-6-11(15(20)21)24-25(12)14-9(18)4-3-5-10(14)19/h3-8,15H,1-2H3,(H,22,23,26)
定義日:2022-07-05
最終更新日:2022-08-22
公開日:2022-08-10
識別子（ID）:~{N}-[5-[2-[2,6-bis(chloranyl)phenyl]-5-[bis(fluoranyl)methyl]pyrazol-3-yl]-1,3-thiazol-2-yl]-2-methyl-propanamide
I2W
I2W
表記:2-((4H-1,2,4-triazol-3-yl)thio)-1-(4-(3-chlorophenyl)piperazin-1-yl)ethan-1-one
組成式:C14 H16 Cl N5 O S
SMILES:Clc1cccc(c1)N2CCN(CC2)C(=O)CSc3n[nH]cn3
InChi:InChI=1S/C14H16ClN5OS/c15-11-2-1-3-12(8-11)19-4-6-20(7-5-19)13(21)9-22-14-16-10-17-18-14/h1-3,8,10H,4-7,9H2,(H,16,17,18)
定義日:2022-02-09
最終更新日:2022-08-22
公開日:2022-05-04
識別子（ID）:1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1~{H}-1,2,4-triazol-3-ylsulfanyl)ethanone
I2Z
I2Z
表記:6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4(1H,3H)-dione
組成式:C12 H16 N4 O2
SMILES:CN[CH]1[CH](N)N(Cc2ccccc2)C(=O)NC1=O
InChi:InChI=1S/C12H16N4O2/c1-14-9-10(13)16(12(18)15-11(9)17)7-8-5-3-2-4-6-8/h2-6,9-10,14H,7,13H2,1H3,(H,15,17,18)/t9-,10+/m1/s1
定義日:2022-02-09
最終更新日:2022-08-22
公開日:2022-05-04
識別子（ID）:(5~{R})-6-azanyl-5-(methylamino)-1-(phenylmethyl)-1,3-diazinane-2,4-dione
I3V
I3V
表記:5-azanyl-6-methyl-1~{H}-pyrimidine-2,4-dione
組成式:C5 H7 N3 O2
SMILES:CC1=C(N)C(=O)NC(=O)N1
InChi:InChI=1S/C5H7N3O2/c1-2-3(6)4(9)8-5(10)7-2/h6H2,1H3,(H2,7,8,9,10)
定義日:2022-02-10
最終更新日:2022-08-22
公開日:2022-03-02
識別子（ID）:5-azanyl-6-methyl-1~{H}-pyrimidine-2,4-dione
I4H
I4H
表記:~{N}-ethyl-4-methyl-3-nitro-benzamide
組成式:C10 H12 N2 O3
SMILES:CCNC(=O)c1ccc(C)c(c1)[N+]([O-])=O
InChi:InChI=1S/C10H12N2O3/c1-3-11-10(13)8-5-4-7(2)9(6-8)12(14)15/h4-6H,3H2,1-2H3,(H,11,13)
定義日:2022-02-10
最終更新日:2022-08-22
公開日:2022-04-27
識別子（ID）:~{N}-ethyl-4-methyl-3-nitro-benzamide
I4L
I4L
表記:(2~{S})-2-[2-[4-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid
組成式:C24 H22 N2 O12 S
SMILES:OC(=O)C[C](O)(CC(=O)N1CCN(CC1)[S](=O)(=O)c2cc3C(=O)c4ccccc4C(=O)c3c(O)c2O)C(O)=O
InChi:InChI=1S/C24H22N2O12S/c27-16(10-24(36,23(34)35)11-17(28)29)25-5-7-26(8-6-25)39(37,38)15-9-14-18(22(33)21(15)32)20(31)13-4-2-1-3-12(13)19(14)30/h1-4,9,32-33,36H,5-8,10-11H2,(H,28,29)(H,34,35)/t24-/m0/s1
定義日:2022-02-10
最終更新日:2022-08-22
公開日:2022-04-06
識別子（ID）:(2~{S})-2-[2-[4-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid
I4S
I4S
表記:3,6-dimethyl-2~{H}-1,2,4-triazin-5-one
組成式:C5 H7 N3 O
SMILES:CC1=NC(=O)C(=NN1)C
InChi:InChI=1S/C5H7N3O/c1-3-5(9)6-4(2)8-7-3/h1-2H3,(H,6,8,9)
定義日:2022-02-11
最終更新日:2022-08-22
公開日:2022-03-02
識別子（ID）:3,6-dimethyl-2~{H}-1,2,4-triazin-5-one
I5B
I5B
表記:(5-methoxy-6-pyridin-4-yl-1~{H}-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone
組成式:C19 H21 N5 O2
SMILES:COc1cc2c([nH]nc2C(=O)N3CCN(C)CC3)cc1c4ccncc4
InChi:InChI=1S/C19H21N5O2/c1-23-7-9-24(10-8-23)19(25)18-15-12-17(26-2)14(11-16(15)21-22-18)13-3-5-20-6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,21,22)
定義日:2022-02-11
最終更新日:2022-08-22
公開日:2022-03-23
識別子（ID）:(5-methoxy-6-pyridin-4-yl-1~{H}-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone
I5N
I5N
表記:5-cyclopropyl-6-(2,6-dimethylpyridin-4-yl)-~{N}-[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]-1~{H}-indazol-3-amine
組成式:C22 H26 F N5
SMILES:Cc1cc(cc(C)n1)c2cc3[nH]nc(N[CH]4CCNC[CH]4F)c3cc2C5CC5
InChi:InChI=1S/C22H26FN5/c1-12-7-15(8-13(2)25-12)17-10-21-18(9-16(17)14-3-4-14)22(28-27-21)26-20-5-6-24-11-19(20)23/h7-10,14,19-20,24H,3-6,11H2,1-2H3,(H2,26,27,28)/t19-,20-/m1/s1
定義日:2022-02-11
最終更新日:2022-08-22
公開日:2022-03-23
識別子（ID）:5-cyclopropyl-6-(2,6-dimethylpyridin-4-yl)-~{N}-[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]-1~{H}-indazol-3-amine

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件を2024-07-10に公開中

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