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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
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
97W
97W
表記:7-(trifluoromethyl)quinolin-4-ol
組成式:C10 H6 F3 N O
SMILES:Oc1ccnc2cc(ccc12)C(F)(F)F
InChi:InChI=1S/C10H6F3NO/c11-10(12,13)6-1-2-7-8(5-6)14-4-3-9(7)15/h1-5H,(H,14,15)
定義日:2017-04-28
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:7-(trifluoromethyl)quinolin-4-ol
98K
98K
表記:2-chloranyl-1~{H}-benzimidazole
組成式:C7 H5 Cl N2
SMILES:Clc1[nH]c2ccccc2n1
InChi:InChI=1S/C7H5ClN2/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)
定義日:2017-04-28
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:2-chloranyl-1~{H}-benzimidazole
98Q
98Q
表記:5-methoxy-6-(trifluoromethyl)-1~{H}-indole
組成式:C10 H8 F3 N O
SMILES:COc1cc2cc[nH]c2cc1C(F)(F)F
InChi:InChI=1S/C10H8F3NO/c1-15-9-4-6-2-3-14-8(6)5-7(9)10(11,12)13/h2-5,14H,1H3
定義日:2017-04-28
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:5-methoxy-6-(trifluoromethyl)-1~{H}-indole
98T
98T
表記:methyl 3-iodanyl-4-oxidanyl-benzoate
組成式:C8 H7 I O3
SMILES:COC(=O)c1ccc(O)c(I)c1
InChi:InChI=1S/C8H7IO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,1H3
定義日:2017-04-28
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:methyl 3-iodanyl-4-oxidanyl-benzoate
98W
98W
表記:dimethyl 5-oxidanylbenzene-1,3-dicarboxylate
組成式:C10 H10 O5
SMILES:COC(=O)c1cc(O)cc(c1)C(=O)OC
InChi:InChI=1S/C10H10O5/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5,11H,1-2H3
定義日:2017-04-28
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:dimethyl 5-oxidanylbenzene-1,3-dicarboxylate
98Z
98Z
表記:1~{H}-indole-3-carbonitrile
組成式:C9 H6 N2
SMILES:N#Cc1c[nH]c2ccccc12
InChi:InChI=1S/C9H6N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H
定義日:2017-04-28
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:1~{H}-indole-3-carbonitrile
9EQ
9EQ
表記:1-[2,6-bis(oxidanyl)phenyl]ethanone
組成式:C8 H8 O3
SMILES:CC(=O)c1c(O)cccc1O
InChi:InChI=1S/C8H8O3/c1-5(9)8-6(10)3-2-4-7(8)11/h2-4,10-11H,1H3
定義日:2017-05-12
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:1-[2,6-bis(oxidanyl)phenyl]ethanone
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
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
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
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

224572

件を2024-09-04に公開中

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