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HNO
HNO
表記:N-tert-butyl-6,7-bis(chloranyl)quinoxalin-2-amine
組成式:C12 H13 Cl2 N3
SMILES:CC(C)(C)Nc1cnc2cc(Cl)c(Cl)cc2n1
InChi:InChI=1S/C12H13Cl2N3/c1-12(2,3)17-11-6-15-9-4-7(13)8(14)5-10(9)16-11/h4-6H,1-3H3,(H,16,17)
定義日:2021-01-20
最終更新日:2021-07-02
公開日:2021-07-07
識別子（ID）:~{N}-~{tert}-butyl-6,7-bis(chloranyl)quinoxalin-2-amine
G3L
G3L
表記:Nomilin
組成式:C28 H34 O9
SMILES:CC(=O)O[CH]1CC(=O)OC(C)(C)[CH]2CC(=O)[C]3(C)[CH](CC[C]4(C)[CH](OC(=O)[CH]5O[C]345)c6cocc6)[C]12C
InChi:InChI=1S/C28H34O9/c1-14(29)34-19-12-20(31)36-24(2,3)17-11-18(30)27(6)16(26(17,19)5)7-9-25(4)21(15-8-10-33-13-15)35-23(32)22-28(25,27)37-22/h8,10,13,16-17,19,21-22H,7,9,11-12H2,1-6H3/t16-,17+,19+,21+,22-,25+,26-,27+,28-/m1/s1
別名:[(1R,2R,4S,7S,8S,11R,12R,13S,18R)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icosan-13-yl] acetate
定義日:2020-07-21
最終更新日:2021-07-02
公開日:2021-07-07
WV4
WV4
表記:N-ethyl-2-fluoro-4-(methylsulfonyl)aniline
組成式:C9 H12 F N O2 S
SMILES:c1cc(NCC)c(cc1S(C)(=O)=O)F
InChi:InChI=1S/C9H12FNO2S/c1-3-11-9-5-4-7(6-8(9)10)14(2,12)13/h4-6,11H,3H2,1-2H3
定義日:2020-11-17
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:N-ethyl-2-fluoro-4-(methylsulfonyl)aniline
UMH
UMH
表記:6-methoxyquinoline-3-carboxylic acid
組成式:C11 H9 N O3
SMILES:COc1ccc2ncc(cc2c1)C(O)=O
InChi:InChI=1S/C11H9NO3/c1-15-9-2-3-10-7(5-9)4-8(6-12-10)11(13)14/h2-6H,1H3,(H,13,14)
定義日:2021-03-02
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:6-methoxyquinoline-3-carboxylic acid
S8Q
S8Q
表記:2-[(~{Z})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-[(2~{S},6~{S})-2,6-dimethylmorpholin-4-yl]ethanone
組成式:C22 H32 N2 O5
SMILES:COc1ccc(cc1OC2CCCC2)C(C)=NOCC(=O)N3C[CH](C)O[CH](C)C3
InChi:InChI=1S/C22H32N2O5/c1-15-12-24(13-16(2)28-15)22(25)14-27-23-17(3)18-9-10-20(26-4)21(11-18)29-19-7-5-6-8-19/h9-11,15-16,19H,5-8,12-14H2,1-4H3/b23-17-/t15-,16-/m0/s1
定義日:2020-11-11
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:2-[(~{Z})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-[(2~{S},6~{S})-2,6-dimethylmorpholin-4-yl]ethanone
V4V
V4V
表記:7-{[3-({[(pyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
組成式:C23 H22 N4 O
SMILES:c4(N)ccc1c(cc(cc1)COc2cc(ccc2)CNCc3ccccn3)n4
InChi:InChI=1S/C23H22N4O/c24-23-10-9-19-8-7-18(13-22(19)27-23)16-28-21-6-3-4-17(12-21)14-25-15-20-5-1-2-11-26-20/h1-13,25H,14-16H2,(H2,24,27)
定義日:2020-06-26
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:7-{[3-({[(pyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
V4Y
V4Y
表記:7-{[3-({[3-(6-aminopyridin-2-yl)propyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
組成式:C25 H27 N5 O
SMILES:c1(nc(ccc1)CCCNCc2cc(ccc2)OCc3cc4c(cc3)ccc(N)n4)N
InChi:InChI=1S/C25H27N5O/c26-24-8-2-5-21(29-24)6-3-13-28-16-18-4-1-7-22(14-18)31-17-19-9-10-20-11-12-25(27)30-23(20)15-19/h1-2,4-5,7-12,14-15,28H,3,6,13,16-17H2,(H2,26,29)(H2,27,30)
定義日:2020-06-26
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:7-{[3-({[3-(6-aminopyridin-2-yl)propyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
V54
V54
表記:7-{[3-({[(6-aminopyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
組成式:C23 H23 N5 O
SMILES:c1(nc(ccc1)CNCc2cc(ccc2)OCc3cc4c(cc3)ccc(N)n4)N
InChi:InChI=1S/C23H23N5O/c24-22-6-2-4-19(27-22)14-26-13-16-3-1-5-20(11-16)29-15-17-7-8-18-9-10-23(25)28-21(18)12-17/h1-12,26H,13-15H2,(H2,24,27)(H2,25,28)
定義日:2020-06-26
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:7-{[3-({[(6-aminopyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
X0G
X0G
表記:4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
組成式:C10 H15 N3 O2
SMILES:C3N(Cc1nc(no1)C2CC2)CCOC3
InChi:InChI=1S/C10H15N3O2/c1-2-8(1)10-11-9(15-12-10)7-13-3-5-14-6-4-13/h8H,1-7H2
定義日:2020-11-19
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
V57
V57
表記:7-{[3-({[2-(pyridin-2-yl)ethyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
組成式:C24 H24 N4 O
SMILES:c1(nc4c(cc1)ccc(COc3cccc(CNCCc2ccccn2)c3)c4)N
InChi:InChI=1S/C24H24N4O/c25-24-10-9-20-8-7-19(15-23(20)28-24)17-29-22-6-3-4-18(14-22)16-26-13-11-21-5-1-2-12-27-21/h1-10,12,14-15,26H,11,13,16-17H2,(H2,25,28)
定義日:2020-06-26
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:7-{[3-({[2-(pyridin-2-yl)ethyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
X0M
X0M
表記:N-[(3S)-1,2,3,4-tetrahydroquinolin-3-yl]acetamide
組成式:C11 H14 N2 O
SMILES:c2c1CC(CNc1ccc2)NC(C)=O
InChi:InChI=1S/C11H14N2O/c1-8(14)13-10-6-9-4-2-3-5-11(9)12-7-10/h2-5,10,12H,6-7H2,1H3,(H,13,14)/t10-/m0/s1
定義日:2020-11-19
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:N-[(3S)-1,2,3,4-tetrahydroquinolin-3-yl]acetamide
V5D
V5D
表記:7-{[3-({[4-(6-aminopyridin-2-yl)butyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
組成式:C26 H29 N5 O
SMILES:c1(N)cccc(n1)CCCCNCc2cc(ccc2)OCc4ccc3ccc(nc3c4)N
InChi:InChI=1S/C26H29N5O/c27-25-9-4-7-22(30-25)6-1-2-14-29-17-19-5-3-8-23(15-19)32-18-20-10-11-21-12-13-26(28)31-24(21)16-20/h3-5,7-13,15-16,29H,1-2,6,14,17-18H2,(H2,27,30)(H2,28,31)
定義日:2020-06-26
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:7-{[3-({[4-(6-aminopyridin-2-yl)butyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
V5G
V5G
表記:7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine
組成式:C23 H22 N4 O
SMILES:c1(nc(ccc1)CCc2cccc(c2)OCc3cc4c(cc3)ccc(N)n4)N
InChi:InChI=1S/C23H22N4O/c24-22-6-2-4-19(26-22)11-8-16-3-1-5-20(13-16)28-15-17-7-9-18-10-12-23(25)27-21(18)14-17/h1-7,9-10,12-14H,8,11,15H2,(H2,24,26)(H2,25,27)
定義日:2020-06-26
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine
T3K
T3K
表記:3-[(~{E})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-morpholin-4-yl-propan-1-one
組成式:C21 H30 N2 O5
SMILES:COc1ccc(cc1OC2CCCC2)C(C)=NOCCC(=O)N3CCOCC3
InChi:InChI=1S/C21H30N2O5/c1-16(22-27-12-9-21(24)23-10-13-26-14-11-23)17-7-8-19(25-2)20(15-17)28-18-5-3-4-6-18/h7-8,15,18H,3-6,9-14H2,1-2H3/b22-16+
定義日:2020-12-14
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:3-[(~{E})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-morpholin-4-yl-propan-1-one
J86
J86
表記:[(1S)-1-[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]ethyl]phosphonic acid
組成式:C11 H13 Br N3 O5 P
SMILES:C[CH](NCc1cc(Br)cc2NC(=O)C(=O)Nc12)[P](O)(O)=O
InChi:InChI=1S/C11H13BrN3O5P/c1-5(21(18,19)20)13-4-6-2-7(12)3-8-9(6)15-11(17)10(16)14-8/h2-3,5,13H,4H2,1H3,(H,14,16)(H,15,17)(H2,18,19,20)/t5-/m0/s1
定義日:2021-04-23
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:[(1~{S})-1-[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]ethyl]phosphonic acid
AF6
AF6
表記:N-benzyl-9H-beta-carbolin-3-amine
組成式:C18 H15 N3
SMILES:c1c4c(cc(n1)NCc2ccccc2)c3ccccc3n4
InChi:InChI=1S/C18H15N3/c1-2-6-13(7-3-1)11-19-18-10-15-14-8-4-5-9-16(14)21-17(15)12-20-18/h1-10,12,21H,11H2,(H,19,20)
定義日:2018-11-01
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:N-benzyl-9H-beta-carbolin-3-amine
97Q
97Q
表記:2,8-bis(trifluoromethyl)quinolin-4-ol
組成式:C11 H5 F6 N O
SMILES:Oc1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F
InChi:InChI=1S/C11H5F6NO/c12-10(13,14)6-3-1-2-5-7(19)4-8(11(15,16)17)18-9(5)6/h1-4H,(H,18,19)
定義日:2017-04-27
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:2,8-bis(trifluoromethyl)quinolin-4-ol
JGW
JGW
表記:2-methyl-3-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-3~{H}-quinolin-4-one
組成式:C24 H18 F3 N O2
SMILES:CC1=Nc2ccccc2C(=O)[CH]1c3ccc(Cc4ccc(OC(F)(F)F)cc4)cc3
InChi:InChI=1S/C24H18F3NO2/c1-15-22(23(29)20-4-2-3-5-21(20)28-15)18-10-6-16(7-11-18)14-17-8-12-19(13-9-17)30-24(25,26)27/h2-13,22H,14H2,1H3/t22-/m0/s1
定義日:2019-02-25
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:2-methyl-3-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-3~{H}-quinolin-4-one
JHB
JHB
表記:7-chloranyl-3-methyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-1~{H}-quinolin-4-one
組成式:C24 H17 Cl F3 N O2
SMILES:CC1=C(Nc2cc(Cl)ccc2C1=O)c3ccc(Cc4ccc(OC(F)(F)F)cc4)cc3
InChi:InChI=1S/C24H17ClF3NO2/c1-14-22(29-21-13-18(25)8-11-20(21)23(14)30)17-6-2-15(3-7-17)12-16-4-9-19(10-5-16)31-24(26,27)28/h2-11,13H,12H2,1H3,(H,29,30)
定義日:2019-02-25
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:7-chloranyl-3-methyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-1~{H}-quinolin-4-one
JHE
JHE
表記:3-methyl-1-oxidanyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]quinolin-4-one
組成式:C24 H18 F3 N O3
SMILES:CC1=C(N(O)c2ccccc2C1=O)c3ccc(Cc4ccc(OC(F)(F)F)cc4)cc3
InChi:InChI=1S/C24H18F3NO3/c1-15-22(28(30)21-5-3-2-4-20(21)23(15)29)18-10-6-16(7-11-18)14-17-8-12-19(13-9-17)31-24(25,26)27/h2-13,30H,14H2,1H3
定義日:2019-02-25
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:3-methyl-1-oxidanyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]quinolin-4-one
QV2
QV2
表記:2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one
組成式:C19 H20 N4 O2
SMILES:O=C1CCCC2=C1C3(CCCC3)N=C(N2)Nc4oc5ccccc5n4
InChi:InChI=1S/C19H20N4O2/c24-14-8-5-7-13-16(14)19(10-3-4-11-19)23-17(20-13)22-18-21-12-6-1-2-9-15(12)25-18/h1-2,6,9H,3-5,7-8,10-11H2,(H2,20,21,22,23)
定義日:2020-08-13
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one
QXQ
QXQ
表記:~{N}-[3-(7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-2-ethyl-2-methanoyl-butanamide
組成式:C24 H28 N2 O4
SMILES:CCC(CC)(C=O)C(=O)Nc1cccc(CN2CCc3cc4OCOc4cc3C2)c1
InChi:InChI=1S/C24H28N2O4/c1-3-24(4-2,15-27)23(28)25-20-7-5-6-17(10-20)13-26-9-8-18-11-21-22(30-16-29-21)12-19(18)14-26/h5-7,10-12,15H,3-4,8-9,13-14,16H2,1-2H3,(H,25,28)
定義日:2020-08-19
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:~{N}-[3-(7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-2-ethyl-2-methanoyl-butanamide
QXT
QXT
表記:1-[3-(7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-3,3-diethyl-azetidine-2,4-dione
組成式:C24 H26 N2 O4
SMILES:CCC1(CC)C(=O)N(C1=O)c2cccc(CN3CCc4cc5OCOc5cc4C3)c2
InChi:InChI=1S/C24H26N2O4/c1-3-24(4-2)22(27)26(23(24)28)19-7-5-6-16(10-19)13-25-9-8-17-11-20-21(30-15-29-20)12-18(17)14-25/h5-7,10-12H,3-4,8-9,13-15H2,1-2H3
定義日:2020-08-19
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:1-[3-(7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-3,3-diethyl-azetidine-2,4-dione
WAM
WAM
表記:2-[(~{E})-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-1-methyl-quinoline-4-carboxamide
組成式:C20 H19 N2 O3
SMILES:C[n+]1c(cc(c2c1cccc2)C(=O)N)[C@H]=[C@H]c3cc(OC)c(cc3)O
InChi:InChI=1S/C20H18N2O3/c1-22-14(9-7-13-8-10-18(23)19(11-13)25-2)12-16(20(21)24)15-5-3-4-6-17(15)22/h3-12H,1-2H3,(H2,21,24)/p+1
定義日:2020-10-05
最終更新日:2021-06-18
公開日:2021-06-23
識別子（ID）:4-carbamoyl-2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1-methylquinolin-1-ium
YXA
YXA
表記:5-[(6-bromo-1H-indol-1-yl)methyl]-2-methylfuran-3-carboxylic acid
組成式:C15 H12 Br N O3
SMILES:OC(=O)c1cc(Cn2ccc3ccc(Br)cc32)oc1C
InChi:InChI=1S/C15H12BrNO3/c1-9-13(15(18)19)7-12(20-9)8-17-5-4-10-2-3-11(16)6-14(10)17/h2-7H,8H2,1H3,(H,18,19)
定義日:2021-04-05
最終更新日:2021-06-18
公開日:2021-06-23
識別子（ID）:5-[(6-bromo-1H-indol-1-yl)methyl]-2-methylfuran-3-carboxylic acid

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件を2024-07-10に公開中

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