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H9C
H9C
表記:Bis(1,10-phenanthroline)platinum(II)
組成式:C24 H16 N4 Pt
SMILES:[Pt].c1cnc2c(c1)ccc3cccnc23.c4cnc5c(c4)ccc6cccnc56
InChi:InChI=1S/2C12H8N2.Pt/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1
定義日:2020-12-01
最終更新日:2022-01-07
公開日:2022-01-12
1RI
1RI
表記:3-phenoxy-~{N}-[(~{E})-(5-pyrimidin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide
組成式:C22 H16 N4 O3 S
SMILES:O=C(NN=Cc1oc(Sc2ncccn2)cc1)c3cccc(Oc4ccccc4)c3
InChi:InChI=1S/C22H16N4O3S/c27-21(16-6-4-9-18(14-16)28-17-7-2-1-3-8-17)26-25-15-19-10-11-20(29-19)30-22-23-12-5-13-24-22/h1-15H,(H,26,27)/b25-15+
定義日:2021-07-06
最終更新日:2021-12-24
公開日:2021-12-29
識別子（ID）:3-phenoxy-~{N}-[(~{E})-(5-pyrimidin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide
1K8
1K8
表記:3-chloranyl-2-piperazin-1-yl-quinoline
組成式:C13 H14 Cl N3
SMILES:Clc1cc2ccccc2nc1N3CCNCC3
InChi:InChI=1S/C13H14ClN3/c14-11-9-10-3-1-2-4-12(10)16-13(11)17-7-5-15-6-8-17/h1-4,9,15H,5-8H2
別名:BDM88855
定義日:2021-06-13
最終更新日:2021-12-24
公開日:2021-12-29
識別子（ID）:3-chloranyl-2-piperazin-1-yl-quinoline
1KE
1KE
表記:1-(3-chloranyl-5-iodanyl-pyridin-2-yl)piperazine
組成式:C9 H11 Cl I N3
SMILES:Clc1cc(I)cnc1N2CCNCC2
InChi:InChI=1S/C9H11ClIN3/c10-8-5-7(11)6-13-9(8)14-3-1-12-2-4-14/h5-6,12H,1-4H2
別名:BDM88832
定義日:2021-06-13
最終更新日:2021-12-24
公開日:2021-12-29
識別子（ID）:1-(3-chloranyl-5-iodanyl-pyridin-2-yl)piperazine
7V5
7V5
表記:~{N}-(5~{H}-indolo[3,2-b]quinolin-11-yl)-~{N}',~{N}'-dimethyl-propane-1,3-diamine
組成式:C20 H24 N4
SMILES:C[NH+](C)CCCNc1c2[nH]c3ccccc3c2[nH+]c4ccccc14
InChi:InChI=1S/C20H22N4/c1-24(2)13-7-12-21-18-14-8-3-5-10-16(14)22-19-15-9-4-6-11-17(15)23-20(18)19/h3-6,8-11,23H,7,12-13H2,1-2H3,(H,21,22)/p+2
定義日:2021-09-07
最終更新日:2021-12-24
公開日:2021-12-29
識別子（ID）:3-(10~{H}-indolo[3,2-b]quinolin-5-ium-11-ylamino)propyl-dimethyl-azanium
6IC
6IC
表記:4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol
組成式:C33 H31 F3 N6 O2
SMILES:FC1CC2(CCCN2C1)COc1nc2c(F)c(ncc2c(n1)N1CC2CCC(N2)C1)c1cc(O)cc2ccc(F)c(C#C)c21
InChi:InChI=1S/C33H31F3N6O2/c1-2-23-26(35)7-4-18-10-22(43)11-24(27(18)23)29-28(36)30-25(13-37-29)31(41-15-20-5-6-21(16-41)38-20)40-32(39-30)44-17-33-8-3-9-42(33)14-19(34)12-33/h1,4,7,10-11,13,19-21,38,43H,3,5-6,8-9,12,14-17H2/t19-,20-,21+,33+/m1/s1
別名:MRTX-1133
定義日:2021-08-05
最終更新日:2021-12-17
公開日:2021-12-22
識別子（ID）:4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol
G5R
G5R
表記:1-(cyclopentylmethyl)-1-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-3-[3-(5-methylimidazol-1-yl)propyl]urea
組成式:C27 H41 N5 O4
SMILES:COc1cc(ccc1OCCN2CCOCC2)N(CC3CCCC3)C(=O)NCCCn4cncc4C
InChi:InChI=1S/C27H41N5O4/c1-22-19-28-21-31(22)11-5-10-29-27(33)32(20-23-6-3-4-7-23)24-8-9-25(26(18-24)34-2)36-17-14-30-12-15-35-16-13-30/h8-9,18-19,21,23H,3-7,10-17,20H2,1-2H3,(H,29,33)
定義日:2020-07-28
最終更新日:2021-12-17
公開日:2021-12-22
識別子（ID）:1-(cyclopentylmethyl)-1-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-3-[3-(5-methylimidazol-1-yl)propyl]urea
YTD
YTD
表記:6-({[(1S)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino}methyl)-1-methyl-3,4-dihydroquinolin-2(1H)-one
組成式:C21 H26 N2 O2
SMILES:CC(C)(NCc1ccc2c(CCC(=O)N2C)c1)C(O)c1ccccc1
InChi:InChI=1S/C21H26N2O2/c1-21(2,20(25)16-7-5-4-6-8-16)22-14-15-9-11-18-17(13-15)10-12-19(24)23(18)3/h4-9,11,13,20,22,25H,10,12,14H2,1-3H3/t20-/m0/s1
定義日:2021-03-31
最終更新日:2021-12-10
公開日:2021-12-15
識別子（ID）:6-({[(1S)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino}methyl)-1-methyl-3,4-dihydroquinolin-2(1H)-one
80V
80V
表記:4-[6-({4-[(fluorosulfonyl)oxy]phenyl}ethynyl)-4,4-dimethyl-3,4-dihydroquinolin-1(2H)-yl]-4-oxobutanoic acid
組成式:C23 H22 F N O6 S
SMILES:FS(=O)(=O)Oc1ccc(cc1)C#Cc1ccc2c(c1)C(C)(C)CCN2C(=O)CCC(=O)O
InChi:InChI=1S/C23H22FNO6S/c1-23(2)13-14-25(21(26)11-12-22(27)28)20-10-7-17(15-19(20)23)4-3-16-5-8-18(9-6-16)31-32(24,29)30/h5-10,15H,11-14H2,1-2H3,(H,27,28)
定義日:2021-08-25
最終更新日:2021-12-10
公開日:2021-12-15
識別子（ID）:4-[6-({4-[(fluorosulfonyl)oxy]phenyl}ethynyl)-4,4-dimethyl-3,4-dihydroquinolin-1(2H)-yl]-4-oxobutanoic acid
5KM
5KM
表記:2-[[(2~{R},3~{R},4~{R})-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2~{H}-pyran-4-yl]oxymethyl]quinoline-7-carboxylic acid
組成式:C17 H17 N O6
SMILES:OC[CH]1OC=C[CH](OCc2ccc3ccc(cc3n2)C(O)=O)[CH]1O
InChi:InChI=1S/C17H17NO6/c19-8-15-16(20)14(5-6-23-15)24-9-12-4-3-10-1-2-11(17(21)22)7-13(10)18-12/h1-7,14-16,19-20H,8-9H2,(H,21,22)/t14-,15-,16-/m1/s1
定義日:2021-07-13
最終更新日:2021-12-10
公開日:2021-12-15
識別子（ID）:2-[[(2~{R},3~{R},4~{R})-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2~{H}-pyran-4-yl]oxymethyl]quinoline-7-carboxylic acid
B1I
B1I
表記:N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6-(morpholin-4-yl)pyrimidin-4-amine
組成式:C19 H24 F N5 O
SMILES:Fc1cccc(c1)N1CCCC(C1)Nc1cc(ncn1)N1CCOCC1
InChi:InChI=1S/C19H24FN5O/c20-15-3-1-5-17(11-15)25-6-2-4-16(13-25)23-18-12-19(22-14-21-18)24-7-9-26-10-8-24/h1,3,5,11-12,14,16H,2,4,6-10,13H2,(H,21,22,23)/t16-/m1/s1
定義日:2021-11-11
最終更新日:2021-12-10
公開日:2021-12-15
識別子（ID）:N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6-(morpholin-4-yl)pyrimidin-4-amine
VJN
VJN
表記:8-propan-2-yloxy-4~{H}-thieno[2,3-c]isoquinolin-5-one
組成式:C14 H13 N O2 S
SMILES:CC(C)Oc1ccc2C(=O)Nc3sccc3c2c1
InChi:InChI=1S/C14H13NO2S/c1-8(2)17-9-3-4-10-12(7-9)11-5-6-18-14(11)15-13(10)16/h3-8H,1-2H3,(H,15,16)
定義日:2021-05-20
最終更新日:2021-12-03
公開日:2021-12-08
識別子（ID）:8-propan-2-yloxy-4~{H}-thieno[2,3-c]isoquinolin-5-one
VGW
VGW
表記:2-chloranyl-4-[[4-[2-(5-cyclopropylpyrimidin-2-yl)propan-2-ylamino]-1-methyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile
組成式:C26 H24 Cl N7 O
SMILES:CN1C(=O)C=C(NC(C)(C)c2ncc(cn2)C3CC3)c4cc(Nc5ccnc(Cl)c5C#N)ccc14
InChi:InChI=1S/C26H24ClN7O/c1-26(2,25-30-13-16(14-31-25)15-4-5-15)33-21-11-23(35)34(3)22-7-6-17(10-18(21)22)32-20-8-9-29-24(27)19(20)12-28/h6-11,13-15,33H,4-5H2,1-3H3,(H,29,32)
定義日:2021-05-18
最終更新日:2021-12-03
公開日:2021-12-08
識別子（ID）:2-chloranyl-4-[[4-[2-(5-cyclopropylpyrimidin-2-yl)propan-2-ylamino]-1-methyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile
VH5
VH5
表記:2-chloranyl-4-[[4-(4-methylpiperazin-1-yl)-2-oxidanylidene-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile
組成式:C20 H19 Cl N6 O
SMILES:CN1CCN(CC1)C2=CC(=O)Nc3ccc(Nc4ccnc(Cl)c4C#N)cc23
InChi:InChI=1S/C20H19ClN6O/c1-26-6-8-27(9-7-26)18-11-19(28)25-16-3-2-13(10-14(16)18)24-17-4-5-23-20(21)15(17)12-22/h2-5,10-11H,6-9H2,1H3,(H,23,24)(H,25,28)
定義日:2021-05-18
最終更新日:2021-12-03
公開日:2021-12-08
識別子（ID）:2-chloranyl-4-[[4-(4-methylpiperazin-1-yl)-2-oxidanylidene-1~{H}-quinolin-6-yl]amino]pyridine-3-carbonitrile
VH8
VH8
表記:2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-ethanamide
組成式:C18 H15 Cl N6 O2
SMILES:CNC(=O)CNC1=CC(=O)Nc2ccc(Nc3ccnc(Cl)c3C#N)cc12
InChi:InChI=1S/C18H15ClN6O2/c1-21-17(27)9-23-15-7-16(26)25-13-3-2-10(6-11(13)15)24-14-4-5-22-18(19)12(14)8-20/h2-7H,9H2,1H3,(H,21,27)(H,22,24)(H2,23,25,26)
別名:2-[[6-[(2-chloro-3-cyanopyridin-4-yl)amino]-2-oxo-1H-quinolin-4-yl]amino]-N-methylacetamide
定義日:2021-05-18
最終更新日:2021-12-03
公開日:2021-12-08
識別子（ID）:2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1~{H}-quinolin-4-yl]amino]-~{N}-methyl-ethanamide
VHB
VHB
表記:2-chloranyl-4-[[4-(1-methylpyrazol-4-yl)-2-oxidanylidene-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile
組成式:C19 H13 Cl N6 O
SMILES:Cn1cc(cn1)C2=CC(=O)Nc3ccc(Nc4ccnc(Cl)c4C#N)cc23
InChi:InChI=1S/C19H13ClN6O/c1-26-10-11(9-23-26)13-7-18(27)25-16-3-2-12(6-14(13)16)24-17-4-5-22-19(20)15(17)8-21/h2-7,9-10H,1H3,(H,22,24)(H,25,27)
定義日:2021-05-18
最終更新日:2021-12-03
公開日:2021-12-08
識別子（ID）:2-chloranyl-4-[[4-(1-methylpyrazol-4-yl)-2-oxidanylidene-1~{H}-quinolin-6-yl]amino]pyridine-3-carbonitrile
VHK
VHK
表記:2-chloranyl-4-[[4-(ethylamino)-2-oxidanylidene-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile
組成式:C17 H14 Cl N5 O
SMILES:CCNC1=CC(=O)Nc2ccc(Nc3ccnc(Cl)c3C#N)cc12
InChi:InChI=1S/C17H14ClN5O/c1-2-20-15-8-16(24)23-13-4-3-10(7-11(13)15)22-14-5-6-21-17(18)12(14)9-19/h3-8H,2H2,1H3,(H,21,22)(H2,20,23,24)
定義日:2021-05-18
最終更新日:2021-12-03
公開日:2021-12-08
識別子（ID）:2-chloranyl-4-[[4-(ethylamino)-2-oxidanylidene-1~{H}-quinolin-6-yl]amino]pyridine-3-carbonitrile
VHN
VHN
表記:(2S)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-propanamide
組成式:C19 H17 Cl N6 O2
SMILES:CNC(=O)[CH](C)NC1=CC(=O)Nc2ccc(Nc3ccnc(Cl)c3C#N)cc12
InChi:InChI=1S/C19H17ClN6O2/c1-10(19(28)22-2)24-16-8-17(27)26-14-4-3-11(7-12(14)16)25-15-5-6-23-18(20)13(15)9-21/h3-8,10H,1-2H3,(H,22,28)(H,23,25)(H2,24,26,27)/t10-/m0/s1
別名:(2S)-2-[[6-[(2-Chloro-3-cyanopyridin-4-yl)amino]-2-oxo-1H-quinolin-4-yl]amino]-N-methylpropanamide
定義日:2021-05-18
最終更新日:2021-12-03
公開日:2021-12-08
識別子（ID）:(2~{S})-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1~{H}-quinolin-4-yl]amino]-~{N}-methyl-propanamide
VHQ
VHQ
表記:2-chloranyl-4-[(1-methyl-2-oxidanylidene-quinolin-6-yl)amino]pyridine-3-carbonitrile
組成式:C16 H11 Cl N4 O
SMILES:CN1C(=O)C=Cc2cc(Nc3ccnc(Cl)c3C#N)ccc12
InChi:InChI=1S/C16H11ClN4O/c1-21-14-4-3-11(8-10(14)2-5-15(21)22)20-13-6-7-19-16(17)12(13)9-18/h2-8H,1H3,(H,19,20)
定義日:2021-05-18
最終更新日:2021-12-03
公開日:2021-12-08
識別子（ID）:2-chloranyl-4-[(1-methyl-2-oxidanylidene-quinolin-6-yl)amino]pyridine-3-carbonitrile
VHZ
VHZ
表記:(2R)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-propanamide
組成式:C19 H17 Cl N6 O2
SMILES:CNC(=O)[CH](C)NC1=CC(=O)Nc2ccc(Nc3ccnc(Cl)c3C#N)cc12
InChi:InChI=1S/C19H17ClN6O2/c1-10(19(28)22-2)24-16-8-17(27)26-14-4-3-11(7-12(14)16)25-15-5-6-23-18(20)13(15)9-21/h3-8,10H,1-2H3,(H,22,28)(H,23,25)(H2,24,26,27)/t10-/m1/s1
別名:(2R)-2-[[6-[(2-Chloro-3-cyanopyridin-4-yl)amino]-2-oxo-1H-quinolin-4-yl]amino]-N-methylpropanamide
定義日:2021-05-18
最終更新日:2021-12-03
公開日:2021-12-08
識別子（ID）:(2~{R})-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1~{H}-quinolin-4-yl]amino]-~{N}-methyl-propanamide
VJ2
VJ2
表記:2-chloranyl-4-[[1-methyl-2-oxidanylidene-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-6-yl]amino]pyridine-3-carbonitrile
組成式:C23 H20 Cl N7 O
SMILES:CN1C(=O)C=C(NC(C)(C)c2ncccn2)c3cc(Nc4ccnc(Cl)c4C#N)ccc13
InChi:InChI=1S/C23H20ClN7O/c1-23(2,22-27-8-4-9-28-22)30-18-12-20(32)31(3)19-6-5-14(11-15(18)19)29-17-7-10-26-21(24)16(17)13-25/h4-12,30H,1-3H3,(H,26,29)
別名:2-Chloro-4-[[1-methyl-2-oxo-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-6-yl]amino]pyridine-3-carbonitrile
定義日:2021-05-18
最終更新日:2021-12-03
公開日:2021-12-08
識別子（ID）:2-chloranyl-4-[[1-methyl-2-oxidanylidene-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-6-yl]amino]pyridine-3-carbonitrile
VJ5
VJ5
表記:2-chloranyl-4-[[1-methyl-2-oxidanylidene-4-[[(1R)-1-pyrimidin-2-ylethyl]amino]quinolin-6-yl]amino]pyridine-3-carbonitrile
組成式:C22 H18 Cl N7 O
SMILES:C[CH](NC1=CC(=O)N(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)c4ncccn4
InChi:InChI=1S/C22H18ClN7O/c1-13(22-26-7-3-8-27-22)28-18-11-20(31)30(2)19-5-4-14(10-15(18)19)29-17-6-9-25-21(23)16(17)12-24/h3-11,13,28H,1-2H3,(H,25,29)/t13-/m1/s1
別名:2-Chloro-4-[[1-methyl-2-oxo-4-[[(1R)-1-pyrimidin-2-ylethyl]amino]quinolin-6-yl]amino]pyridine-3-carbonitrile
定義日:2021-05-18
最終更新日:2021-12-03
公開日:2021-12-08
識別子（ID）:2-chloranyl-4-[[1-methyl-2-oxidanylidene-4-[[(1~{R})-1-pyrimidin-2-ylethyl]amino]quinolin-6-yl]amino]pyridine-3-carbonitrile
0SI
0SI
表記:8-phenylmethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one
組成式:C18 H13 N O2 S
SMILES:O=C1Nc2sccc2c3cc(OCc4ccccc4)ccc13
InChi:InChI=1S/C18H13NO2S/c20-17-14-7-6-13(21-11-12-4-2-1-3-5-12)10-16(14)15-8-9-22-18(15)19-17/h1-10H,11H2,(H,19,20)
定義日:2021-06-09
最終更新日:2021-12-03
公開日:2021-12-08
識別子（ID）:8-phenylmethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one
0UI
0UI
表記:8-oxidanyl-4~{H}-thieno[2,3-c]isoquinolin-5-one
組成式:C11 H7 N O2 S
SMILES:Oc1ccc2C(=O)Nc3sccc3c2c1
InChi:InChI=1S/C11H7NO2S/c13-6-1-2-7-9(5-6)8-3-4-15-11(8)12-10(7)14/h1-5,13H,(H,12,14)
定義日:2021-06-09
最終更新日:2021-12-03
公開日:2021-12-08
識別子（ID）:8-oxidanyl-4~{H}-thieno[2,3-c]isoquinolin-5-one
1O7
1O7
表記:8-ethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one
組成式:C13 H11 N O2 S
SMILES:CCOc1ccc2C(=O)Nc3sccc3c2c1
InChi:InChI=1S/C13H11NO2S/c1-2-16-8-3-4-9-11(7-8)10-5-6-17-13(10)14-12(9)15/h3-7H,2H2,1H3,(H,14,15)
定義日:2021-06-14
最終更新日:2021-12-03
公開日:2021-12-08
識別子（ID）:8-ethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one

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件を2024-08-07に公開中

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