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H0J
H0J
表記:5-(pyridin-2-yl)thiophene-2-carbothioamide
組成式:C10 H8 N2 S2
SMILES:n2c(c1sc(cc1)C(=S)N)cccc2
InChi:InChI=1S/C10H8N2S2/c11-10(13)9-5-4-8(14-9)7-3-1-2-6-12-7/h1-6H,(H2,11,13)
定義日:2018-06-08
最終更新日:2019-03-22
公開日:2019-03-27
識別子（ID）:5-(pyridin-2-yl)thiophene-2-carbothioamide
H0M
H0M
表記:2-(3-hydroxyphenyl)-N-(pyridin-2-yl)acetamide
組成式:C13 H12 N2 O2
SMILES:N(C(Cc1cc(ccc1)O)=O)c2ccccn2
InChi:InChI=1S/C13H12N2O2/c16-11-5-3-4-10(8-11)9-13(17)15-12-6-1-2-7-14-12/h1-8,16H,9H2,(H,14,15,17)
定義日:2018-06-08
最終更新日:2019-03-22
公開日:2019-03-27
識別子（ID）:2-(3-hydroxyphenyl)-N-(pyridin-2-yl)acetamide
H0P
H0P
表記:2-(3-hydroxyphenyl)-N-(pyridin-3-yl)acetamide
組成式:C13 H12 N2 O2
SMILES:N(C(Cc1cc(ccc1)O)=O)c2cccnc2
InChi:InChI=1S/C13H12N2O2/c16-12-5-1-3-10(7-12)8-13(17)15-11-4-2-6-14-9-11/h1-7,9,16H,8H2,(H,15,17)
定義日:2018-06-08
最終更新日:2019-03-22
公開日:2019-03-27
識別子（ID）:2-(3-hydroxyphenyl)-N-(pyridin-3-yl)acetamide
H0S
H0S
表記:N-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
組成式:C12 H11 N5
SMILES:N(c1ncnc2nncc12)c3ccc(cc3)C
InChi:InChI=1S/C12H11N5/c1-8-2-4-9(5-3-8)16-11-10-6-15-17-12(10)14-7-13-11/h2-7H,1H3,(H2,13,14,15,16,17)
定義日:2018-06-08
最終更新日:2019-03-22
公開日:2019-03-27
識別子（ID）:N-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
H17
H17
表記:2-{3-[(2R)-1-acryloylpyrrolidin-2-yl]phenyl}-N-(3-chlorophenyl)acetamide
組成式:C21 H21 Cl N2 O2
SMILES:N(C(Cc2cccc(C1CCCN1C(=O)[C@H]=C)c2)=O)c3cccc(c3)Cl
InChi:InChI=1S/C21H21ClN2O2/c1-2-21(26)24-11-5-10-19(24)16-7-3-6-15(12-16)13-20(25)23-18-9-4-8-17(22)14-18/h2-4,6-9,12,14,19H,1,5,10-11,13H2,(H,23,25)/t19-/m1/s1
定義日:2018-06-08
最終更新日:2019-03-22
公開日:2019-03-27
識別子（ID）:2-{3-[(2R)-1-acryloylpyrrolidin-2-yl]phenyl}-N-(3-chlorophenyl)acetamide
H1A
H1A
表記:2-ethyl-N-(2-hydroxyphenyl)butanamide
組成式:C12 H17 N O2
SMILES:N(C(C(CC)CC)=O)c1c(cccc1)O
InChi:InChI=1S/C12H17NO2/c1-3-9(4-2)12(15)13-10-7-5-6-8-11(10)14/h5-9,14H,3-4H2,1-2H3,(H,13,15)
定義日:2018-06-08
最終更新日:2019-03-22
公開日:2019-03-27
識別子（ID）:2-ethyl-N-(2-hydroxyphenyl)butanamide
H1G
H1G
表記:2-(4-methoxyphenyl)-N-{5-[2-oxo-2-(3-oxopiperazin-1-yl)ethoxy]pyridin-3-yl}acetamide
組成式:C20 H22 N4 O5
SMILES:n2cc(NC(Cc1ccc(cc1)OC)=O)cc(c2)OCC(=O)N3CC(NCC3)=O
InChi:InChI=1S/C20H22N4O5/c1-28-16-4-2-14(3-5-16)8-18(25)23-15-9-17(11-21-10-15)29-13-20(27)24-7-6-22-19(26)12-24/h2-5,9-11H,6-8,12-13H2,1H3,(H,22,26)(H,23,25)
定義日:2018-06-08
最終更新日:2019-03-22
公開日:2019-03-27
識別子（ID）:2-(4-methoxyphenyl)-N-{5-[2-oxo-2-(3-oxopiperazin-1-yl)ethoxy]pyridin-3-yl}acetamide
H1J
H1J
表記:N-(3-chlorophenyl)-2-(4-fluorophenyl)acetamide
組成式:C14 H11 Cl F N O
SMILES:N(C(Cc1ccc(cc1)F)=O)c2cccc(c2)Cl
InChi:InChI=1S/C14H11ClFNO/c15-11-2-1-3-13(9-11)17-14(18)8-10-4-6-12(16)7-5-10/h1-7,9H,8H2,(H,17,18)
定義日:2018-06-08
最終更新日:2019-03-22
公開日:2019-03-27
識別子（ID）:N-(3-chlorophenyl)-2-(4-fluorophenyl)acetamide
H1P
H1P
表記:1-(4'-fluoro[1,1'-biphenyl]-2-yl)-1,3-dihydro-2H-pyrrol-2-one
組成式:C16 H12 F N O
SMILES:c2cc(c(c1ccc(F)cc1)cc2)N3C(CC=C3)=O
InChi:InChI=1S/C16H12FNO/c17-13-9-7-12(8-10-13)14-4-1-2-5-15(14)18-11-3-6-16(18)19/h1-5,7-11H,6H2
定義日:2018-06-08
最終更新日:2019-03-22
公開日:2019-03-27
識別子（ID）:1-(4'-fluoro[1,1'-biphenyl]-2-yl)-1,3-dihydro-2H-pyrrol-2-one
H1Y
H1Y
表記:N-(3-chlorophenyl)-2-phenylacetamide
組成式:C14 H12 Cl N O
SMILES:N(C(Cc1ccccc1)=O)c2cccc(c2)Cl
InChi:InChI=1S/C14H12ClNO/c15-12-7-4-8-13(10-12)16-14(17)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,16,17)
定義日:2018-06-11
最終更新日:2019-03-22
公開日:2019-03-27
識別子（ID）:N-(3-chlorophenyl)-2-phenylacetamide
H2D
H2D
表記:(2R)-N-(1,2-oxazol-3-yl)-2-phenylbutanamide
組成式:C13 H14 N2 O2
SMILES:n1occc1NC(C(c2ccccc2)CC)=O
InChi:InChI=1S/C13H14N2O2/c1-2-11(10-6-4-3-5-7-10)13(16)14-12-8-9-17-15-12/h3-9,11H,2H2,1H3,(H,14,15,16)/t11-/m1/s1
定義日:2018-06-11
最終更新日:2019-03-22
公開日:2019-03-27
識別子（ID）:(2R)-N-(1,2-oxazol-3-yl)-2-phenylbutanamide
H2G
H2G
表記:(2S)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol
組成式:C9 H15 N O S
SMILES:N(CC(C)O)Cc1ccc(s1)C
InChi:InChI=1S/C9H15NOS/c1-7(11)5-10-6-9-4-3-8(2)12-9/h3-4,7,10-11H,5-6H2,1-2H3/t7-/m0/s1
定義日:2018-06-11
最終更新日:2019-03-22
公開日:2019-03-27
識別子（ID）:(2S)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol
H2J
H2J
表記:N-(3-chlorophenyl)-2-(4-methoxyphenyl)acetamide
組成式:C15 H14 Cl N O2
SMILES:N(C(Cc1ccc(cc1)OC)=O)c2cccc(c2)Cl
InChi:InChI=1S/C15H14ClNO2/c1-19-14-7-5-11(6-8-14)9-15(18)17-13-4-2-3-12(16)10-13/h2-8,10H,9H2,1H3,(H,17,18)
定義日:2018-06-11
最終更新日:2019-03-22
公開日:2019-03-27
識別子（ID）:N-(3-chlorophenyl)-2-(4-methoxyphenyl)acetamide
H2M
H2M
表記:1-[3'-(trifluoromethyl)[1,1'-biphenyl]-2-yl]-1,3-dihydro-2H-pyrrol-2-one
組成式:C17 H12 F3 N O
SMILES:c2(N1C(=O)CC=C1)ccccc2c3cccc(c3)C(F)(F)F
InChi:InChI=1S/C17H12F3NO/c18-17(19,20)13-6-3-5-12(11-13)14-7-1-2-8-15(14)21-10-4-9-16(21)22/h1-8,10-11H,9H2
定義日:2018-06-11
最終更新日:2019-03-22
公開日:2019-03-27
識別子（ID）:1-[3'-(trifluoromethyl)[1,1'-biphenyl]-2-yl]-1,3-dihydro-2H-pyrrol-2-one
H2Y
H2Y
表記:2-(4-methoxyphenyl)-N-(pyridin-3-yl)acetamide
組成式:C14 H14 N2 O2
SMILES:N(C(Cc1ccc(OC)cc1)=O)c2cnccc2
InChi:InChI=1S/C14H14N2O2/c1-18-13-6-4-11(5-7-13)9-14(17)16-12-3-2-8-15-10-12/h2-8,10H,9H2,1H3,(H,16,17)
定義日:2018-06-11
最終更新日:2019-03-22
公開日:2019-03-27
識別子（ID）:2-(4-methoxyphenyl)-N-(pyridin-3-yl)acetamide
GDW
GDW
表記:5-[2-(diethylamino)ethyl]-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione
組成式:C21 H24 N2 O2
SMILES:CCN(CC)CCn1c2CCCC(=O)c2c3C(=O)c4ccccc4c13
InChi:InChI=1S/C21H24N2O2/c1-3-22(4-2)12-13-23-16-10-7-11-17(24)18(16)19-20(23)14-8-5-6-9-15(14)21(19)25/h5-6,8-9H,3-4,7,10-13H2,1-2H3
定義日:2018-09-12
最終更新日:2019-03-22
公開日:2019-03-27
識別子（ID）:5-[2-(diethylamino)ethyl]-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione
RJR
RJR
表記:(1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[4-[3-(1-adamantylmethoxy)propyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol
組成式:C23 H37 N3 O5
SMILES:O[CH]1C[CH](O)[CH](Cn2cc(CCCOCC34CC5CC(CC(C5)C3)C4)nn2)[CH](O)[CH]1O
InChi:InChI=1S/C23H37N3O5/c27-19-7-20(28)22(30)21(29)18(19)12-26-11-17(24-25-26)2-1-3-31-13-23-8-14-4-15(9-23)6-16(5-14)10-23/h11,14-16,18-22,27-30H,1-10,12-13H2/t14-,15+,16-,18-,19-,20-,21+,22+,23-/m0/s1
定義日:2018-12-11
最終更新日:2019-03-22
公開日:2019-03-27
識別子（ID）:(1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[4-[3-(1-adamantylmethoxy)propyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol
9V9
9V9
表記:1-{2,5-anhydro-4-[(phosphonooxy)methyl]-alpha-L-lyxofuranosyl}-5-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
組成式:C11 H15 N2 O8 P S
SMILES:C1(=O)NC(N(C=C1C)C2OC3(COP(O)(O)=O)C(C2OC3)O)=S
InChi:InChI=1S/C11H15N2O8PS/c1-5-2-13(10(23)12-8(5)15)9-6-7(14)11(21-9,3-19-6)4-20-22(16,17)18/h2,6-7,9,14H,3-4H2,1H3,(H,12,15,23)(H2,16,17,18)/t6-,7+,9-,11-/m1/s1
定義日:2018-08-16
最終更新日:2019-03-22
公開日:2019-03-27
識別子（ID）:1-{2,5-anhydro-4-[(phosphonooxy)methyl]-alpha-L-lyxofuranosyl}-5-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
FVV
FVV
表記:10-[(4-fluorophenyl)methyl]-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole
組成式:C17 H16 F N3
SMILES:c4(ccc(CN3C=1N(CCCN=1)c2c3cccc2)cc4)F
InChi:InChI=1S/C17H16FN3/c18-14-8-6-13(7-9-14)12-21-16-5-2-1-4-15(16)20-11-3-10-19-17(20)21/h1-2,4-9H,3,10-12H2
定義日:2018-04-22
最終更新日:2019-03-22
公開日:2019-03-27
識別子（ID）:10-[(4-fluorophenyl)methyl]-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole
JU7
JU7
表記:6-cyclohexylhexyl beta-D-glucopyranoside
組成式:C18 H34 O6
SMILES:C1(C(C(C(OC1OCCCCCCC2CCCCC2)CO)O)O)O
InChi:InChI=1S/C18H34O6/c19-12-14-15(20)16(21)17(22)18(24-14)23-11-7-2-1-4-8-13-9-5-3-6-10-13/h13-22H,1-12H2/t14-,15-,16+,17-,18-/m1/s1
定義日:2018-09-24
最終更新日:2019-03-22
公開日:2019-03-27
識別子（ID）:6-cyclohexylhexyl beta-D-glucopyranoside
JVD
JVD
表記:N-[(2R)-3-methylbutan-2-yl]-1H-benzotriazole-6-carboxamide
組成式:C12 H16 N4 O
SMILES:c1cc2c(cc1C(NC(C)C(C)C)=O)nnn2
InChi:InChI=1S/C12H16N4O/c1-7(2)8(3)13-12(17)9-4-5-10-11(6-9)15-16-14-10/h4-8H,1-3H3,(H,13,17)(H,14,15,16)/t8-/m1/s1
定義日:2018-10-02
最終更新日:2019-03-22
公開日:2019-03-27
識別子（ID）:N-[(2R)-3-methylbutan-2-yl]-1H-benzotriazole-6-carboxamide
L8M
L8M
表記:N-(5-tert-butyl-1H-pyrazol-3-yl)-8-fluoro-2-[(2R)-2-methylpiperazin-1-yl]quinazolin-4-amine
組成式:C20 H26 F N7
SMILES:c34c(c(Nc1cc(C(C)(C)C)nn1)nc(N2C(C)CNCC2)n3)cccc4F
InChi:InChI=1S/C20H26FN7/c1-12-11-22-8-9-28(12)19-24-17-13(6-5-7-14(17)21)18(25-19)23-16-10-15(26-27-16)20(2,3)4/h5-7,10,12,22H,8-9,11H2,1-4H3,(H2,23,24,25,26,27)/t12-/m1/s1
定義日:2019-02-12
最終更新日:2019-03-22
公開日:2019-03-27
識別子（ID）:N-(5-tert-butyl-1H-pyrazol-3-yl)-8-fluoro-2-[(2R)-2-methylpiperazin-1-yl]quinazolin-4-amine
LBD
LBD
表記:N-(3-tert-butyl-1H-pyrazol-5-yl)-2-[(2R)-2-methylpiperazin-1-yl]quinazolin-4-amine
組成式:C20 H27 N7
SMILES:CC1CNCCN1c2nc(c3c(n2)cccc3)Nc4nnc(C(C)(C)C)c4
InChi:InChI=1S/C20H27N7/c1-13-12-21-9-10-27(13)19-22-15-8-6-5-7-14(15)18(24-19)23-17-11-16(25-26-17)20(2,3)4/h5-8,11,13,21H,9-10,12H2,1-4H3,(H2,22,23,24,25,26)/t13-/m1/s1
定義日:2019-02-15
最終更新日:2019-03-22
公開日:2019-03-27
識別子（ID）:N-(3-tert-butyl-1H-pyrazol-5-yl)-2-[(2R)-2-methylpiperazin-1-yl]quinazolin-4-amine
KCD
KCD
表記:7-(difluoromethoxy)-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
組成式:C20 H24 F2 N2 O3
SMILES:CC(C)(C1CCC(CC1)NC(c3cnc2cc(OC(F)F)ccc2c3)=O)O
InChi:InChI=1S/C20H24F2N2O3/c1-20(2,26)14-4-6-15(7-5-14)24-18(25)13-9-12-3-8-16(27-19(21)22)10-17(12)23-11-13/h3,8-11,14-15,19,26H,4-7H2,1-2H3,(H,24,25)/t14-,15-
定義日:2018-11-20
最終更新日:2019-03-22
公開日:2019-03-27
識別子（ID）:7-(difluoromethoxy)-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
KDV
KDV
表記:quinoline-3-carbonitrile
組成式:C10 H6 N2
SMILES:C(c2cnc1ccccc1c2)#N
InChi:InChI=1S/C10H6N2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-5,7H
定義日:2018-11-27
最終更新日:2019-03-22
公開日:2019-03-27
識別子（ID）:quinoline-3-carbonitrile

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