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UOK
UOK
表記:2-(5-methoxy-1~{H}-indol-3-yl)ethanenitrile
組成式:C11 H10 N2 O
SMILES:COc1ccc2[nH]cc(CC#N)c2c1
InChi:InChI=1S/C11H10N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4H2,1H3
定義日:2021-03-03
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:2-(5-methoxy-1~{H}-indol-3-yl)ethanenitrile
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
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
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
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
VYJ
VYJ
表記:11-cyclopentyl-2-({2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
組成式:C36 H46 N8 O3
SMILES:C1(CCN(CC1)C(c6cc(c(Nc4ncc3N(C(=O)c2ccccc2N(c3n4)C5CCCC5)C)cc6)OCC)=O)N7CCN(C)CC7
InChi:InChI=1S/C36H46N8O3/c1-4-47-32-23-25(34(45)43-17-15-26(16-18-43)42-21-19-40(2)20-22-42)13-14-29(32)38-36-37-24-31-33(39-36)44(27-9-5-6-10-27)30-12-8-7-11-28(30)35(46)41(31)3/h7-8,11-14,23-24,26-27H,4-6,9-10,15-22H2,1-3H3,(H,37,38,39)
定義日:2020-09-21
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:11-cyclopentyl-2-({2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-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
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
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
WV1
WV1
表記:N-{4-[(1R)-1-aminoethyl]phenyl}cyclopropanecarboxamide
組成式:C12 H16 N2 O
SMILES:c2c(NC(=O)C1CC1)ccc(c2)C(C)N
InChi:InChI=1S/C12H16N2O/c1-8(13)9-4-6-11(7-5-9)14-12(15)10-2-3-10/h4-8,10H,2-3,13H2,1H3,(H,14,15)/t8-/m1/s1
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-{4-[(1R)-1-aminoethyl]phenyl}cyclopropanecarboxamide
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
WVD
WVD
表記:4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-one
組成式:C9 H11 N3 O2 S
SMILES:C2NC(=O)CN(C(c1c(C)ncs1)=O)C2
InChi:InChI=1S/C9H11N3O2S/c1-6-8(15-5-11-6)9(14)12-3-2-10-7(13)4-12/h5H,2-4H2,1H3,(H,10,13)
定義日:2020-11-17
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-one
WZ7
WZ7
表記:2-[(cyclopent-3-en-1-yl)amino]pyridine-4-carboxamide
組成式:C11 H13 N3 O
SMILES:c2cnc(NC1CC=CC1)cc2C(=O)N
InChi:InChI=1S/C11H13N3O/c12-11(15)8-5-6-13-10(7-8)14-9-3-1-2-4-9/h1-2,5-7,9H,3-4H2,(H2,12,15)(H,13,14)
定義日:2020-11-18
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:2-[(cyclopent-3-en-1-yl)amino]pyridine-4-carboxamide
WZM
WZM
表記:6-[cyclobutyl(methyl)amino]pyridazine-3-carboxamide
組成式:C10 H14 N4 O
SMILES:c1(ccc(nn1)N(C)C2CCC2)C(=O)N
InChi:InChI=1S/C10H14N4O/c1-14(7-3-2-4-7)9-6-5-8(10(11)15)12-13-9/h5-7H,2-4H2,1H3,(H2,11,15)
定義日:2020-11-19
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:6-[cyclobutyl(methyl)amino]pyridazine-3-carboxamide
WZP
WZP
表記:2-methyl-1-[4-(propan-2-yl)piperazin-1-yl]propan-1-one
組成式:C11 H22 N2 O
SMILES:C1CN(C(C(C)C)=O)CCN1C(C)C
InChi:InChI=1S/C11H22N2O/c1-9(2)11(14)13-7-5-12(6-8-13)10(3)4/h9-10H,5-8H2,1-4H3
定義日:2020-11-19
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:2-methyl-1-[4-(propan-2-yl)piperazin-1-yl]propan-1-one
WZS
WZS
表記:1-{4-[(2-phenylethyl)amino]piperidin-1-yl}ethan-1-one
組成式:C15 H22 N2 O
SMILES:c2c(CCNC1CCN(C(C)=O)CC1)cccc2
InChi:InChI=1S/C15H22N2O/c1-13(18)17-11-8-15(9-12-17)16-10-7-14-5-3-2-4-6-14/h2-6,15-16H,7-12H2,1H3
定義日:2020-11-19
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:1-{4-[(2-phenylethyl)amino]piperidin-1-yl}ethan-1-one
WZY
WZY
表記:N-(4-methoxyphenyl)glycinamide
組成式:C9 H12 N2 O2
SMILES:N(c1ccc(cc1)OC)C(CN)=O
InChi:InChI=1S/C9H12N2O2/c1-13-8-4-2-7(3-5-8)11-9(12)6-10/h2-5H,6,10H2,1H3,(H,11,12)
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-(4-methoxyphenyl)glycinamide
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
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
X0S
X0S
表記:2-chloro-N-methylbenzene-1-sulfonamide
組成式:C7 H8 Cl N O2 S
SMILES:c1c(S(NC)(=O)=O)c(Cl)ccc1
InChi:InChI=1S/C7H8ClNO2S/c1-9-12(10,11)7-5-3-2-4-6(7)8/h2-5,9H,1H3
定義日:2020-11-19
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:2-chloro-N-methylbenzene-1-sulfonamide

235458

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