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表記:4-{[(3-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione
組成式:C15 H12 N2 O3
SMILES:C1(=O)c2c(C(N1)=O)cccc2NCc3cc(O)ccc3
InChi:InChI=1S/C15H12N2O3/c18-10-4-1-3-9(7-10)8-16-12-6-2-5-11-13(12)15(20)17-14(11)19/h1-7,16,18H,8H2,(H,17,19,20)
定義日:2019-01-13
最終更新日:2019-05-03
公開日:2019-05-08
識別子（ID）:4-{[(3-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione
LDD
LDD
表記:(azepan-1-yl)(4-methoxyphenyl)methanone
組成式:C14 H19 N O2
SMILES:N1(CCCCCC1)C(c2ccc(cc2)OC)=O
InChi:InChI=1S/C14H19NO2/c1-17-13-8-6-12(7-9-13)14(16)15-10-4-2-3-5-11-15/h6-9H,2-5,10-11H2,1H3
定義日:2019-02-22
最終更新日:2019-05-03
公開日:2019-05-08
識別子（ID）:(azepan-1-yl)(4-methoxyphenyl)methanone
LDJ
LDJ
表記:2-methyl-N-{5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2(3H)-ylidene}propanamide
組成式:C10 H15 N3 O2 S
SMILES:N(/C(C(C)C)=O)=C2NN=C(C1OCCC1)S2
InChi:InChI=1S/C10H15N3O2S/c1-6(2)8(14)11-10-13-12-9(16-10)7-4-3-5-15-7/h6-7H,3-5H2,1-2H3,(H,11,13,14)/t7-/m0/s1
定義日:2019-02-22
最終更新日:2019-05-03
公開日:2019-05-08
識別子（ID）:2-methyl-N-{5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2(3H)-ylidene}propanamide
LDS
LDS
表記:N-(4-ethoxyphenyl)pyrazine-2-carboxamide
組成式:C13 H13 N3 O2
SMILES:n2ccnc(C(Nc1ccc(cc1)OCC)=O)c2
InChi:InChI=1S/C13H13N3O2/c1-2-18-11-5-3-10(4-6-11)16-13(17)12-9-14-7-8-15-12/h3-9H,2H2,1H3,(H,16,17)
定義日:2019-02-22
最終更新日:2019-05-03
公開日:2019-05-08
識別子（ID）:N-(4-ethoxyphenyl)pyrazine-2-carboxamide
LDV
LDV
表記:3-[(4-methylpiperidin-1-yl)methyl]-1H-indole
組成式:C15 H20 N2
SMILES:N1(CCC(CC1)C)Cc3c2c(cccc2)nc3
InChi:InChI=1S/C15H20N2/c1-12-6-8-17(9-7-12)11-13-10-16-15-5-3-2-4-14(13)15/h2-5,10,12,16H,6-9,11H2,1H3
定義日:2019-02-22
最終更新日:2019-05-03
公開日:2019-05-08
識別子（ID）:3-[(4-methylpiperidin-1-yl)methyl]-1H-indole
LE4
LE4
表記:[2-(cycloheptylamino)pyrimidin-4-yl]methanol
組成式:C12 H19 N3 O
SMILES:n1c(nc(CO)cc1)NC2CCCCCC2
InChi:InChI=1S/C12H19N3O/c16-9-11-7-8-13-12(15-11)14-10-5-3-1-2-4-6-10/h7-8,10,16H,1-6,9H2,(H,13,14,15)
定義日:2019-02-22
最終更新日:2019-05-03
公開日:2019-05-08
識別子（ID）:[2-(cycloheptylamino)pyrimidin-4-yl]methanol
LE7
LE7
表記:N-[(4-fluorophenyl)methyl]-3-propyl-1H-pyrazole-5-carboxamide
組成式:C14 H16 F N3 O
SMILES:n1c(cc(CCC)n1)C(NCc2ccc(cc2)F)=O
InChi:InChI=1S/C14H16FN3O/c1-2-3-12-8-13(18-17-12)14(19)16-9-10-4-6-11(15)7-5-10/h4-8H,2-3,9H2,1H3,(H,16,19)(H,17,18)
定義日:2019-02-22
最終更新日:2019-05-03
公開日:2019-05-08
識別子（ID）:N-[(4-fluorophenyl)methyl]-3-propyl-1H-pyrazole-5-carboxamide
LEJ
LEJ
表記:1-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-3-carboxamide
組成式:C12 H10 F3 N3 O
SMILES:n2(ccc(C(NCc1ccc(F)cc1)=O)n2)C(F)F
InChi:InChI=1S/C12H10F3N3O/c13-9-3-1-8(2-4-9)7-16-11(19)10-5-6-18(17-10)12(14)15/h1-6,12H,7H2,(H,16,19)
定義日:2019-02-22
最終更新日:2019-05-03
公開日:2019-05-08
識別子（ID）:1-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-3-carboxamide
LES
LES
表記:(3S)-N-(pyrimidin-2-yl)azepan-3-amine
組成式:C10 H16 N4
SMILES:N(C1CNCCCC1)c2ncccn2
InChi:InChI=1S/C10H16N4/c1-2-5-11-8-9(4-1)14-10-12-6-3-7-13-10/h3,6-7,9,11H,1-2,4-5,8H2,(H,12,13,14)/t9-/m0/s1
定義日:2019-02-22
最終更新日:2019-05-03
公開日:2019-05-08
識別子（ID）:(3S)-N-(pyrimidin-2-yl)azepan-3-amine
LEY
LEY
表記:N-[(4-fluorophenyl)methyl]-2-(propan-2-yl)-1H-imidazole-5-carboxamide
組成式:C14 H16 F N3 O
SMILES:n2c(C(NCc1ccc(cc1)F)=O)cnc2C(C)C
InChi:InChI=1S/C14H16FN3O/c1-9(2)13-16-8-12(18-13)14(19)17-7-10-3-5-11(15)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,16,18)(H,17,19)
定義日:2019-02-22
最終更新日:2019-05-03
公開日:2019-05-08
識別子（ID）:N-[(4-fluorophenyl)methyl]-2-(propan-2-yl)-1H-imidazole-5-carboxamide
LF4
LF4
表記:N-[(4-fluorophenyl)methyl]-3-(propan-2-yl)-1H-pyrazole-5-carboxamide
組成式:C14 H16 F N3 O
SMILES:n1c(cc(n1)C(C)C)C(NCc2ccc(cc2)F)=O
InChi:InChI=1S/C14H16FN3O/c1-9(2)12-7-13(18-17-12)14(19)16-8-10-3-5-11(15)6-4-10/h3-7,9H,8H2,1-2H3,(H,16,19)(H,17,18)
定義日:2019-02-22
最終更新日:2019-05-03
公開日:2019-05-08
識別子（ID）:N-[(4-fluorophenyl)methyl]-3-(propan-2-yl)-1H-pyrazole-5-carboxamide
LFG
LFG
表記:N-cycloheptyl-5-cyclopropyl-1,3,4-oxadiazol-2-amine
組成式:C12 H19 N3 O
SMILES:n2nc(NC1CCCCCC1)oc2C3CC3
InChi:InChI=1S/C12H19N3O/c1-2-4-6-10(5-3-1)13-12-15-14-11(16-12)9-7-8-9/h9-10H,1-8H2,(H,13,15)
定義日:2019-02-22
最終更新日:2019-05-03
公開日:2019-05-08
識別子（ID）:N-cycloheptyl-5-cyclopropyl-1,3,4-oxadiazol-2-amine
LFJ
LFJ
表記:1-[4-(2H-1,3-benzodioxole-5-carbonyl)-2,3,4,5-tetrahydro-1H-1,4-diazepin-1-yl]ethan-1-one
組成式:C15 H16 N2 O4
SMILES:N1(CCN(C=CC1)C(C)=O)C(=O)c2cc3c(cc2)OCO3
InChi:InChI=1S/C15H16N2O4/c1-11(18)16-5-2-6-17(8-7-16)15(19)12-3-4-13-14(9-12)21-10-20-13/h2-5,9H,6-8,10H2,1H3
定義日:2019-02-22
最終更新日:2019-05-03
公開日:2019-05-08
識別子（ID）:1-[4-(2H-1,3-benzodioxole-5-carbonyl)-2,3,4,5-tetrahydro-1H-1,4-diazepin-1-yl]ethan-1-one
LFM
LFM
表記:N-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
組成式:C14 H14 F N3 O2
SMILES:N(Cc1ccc(F)cc1)C(=O)c2cnn3c2OCCC3
InChi:InChI=1S/C14H14FN3O2/c15-11-4-2-10(3-5-11)8-16-13(19)12-9-17-18-6-1-7-20-14(12)18/h2-5,9H,1,6-8H2,(H,16,19)
定義日:2019-02-22
最終更新日:2019-05-03
公開日:2019-05-08
識別子（ID）:N-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
LFP
LFP
表記:5-chloro-N-[(4-fluorophenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide
組成式:C12 H11 Cl F N3 O
SMILES:n2(c(c(C(NCc1ccc(cc1)F)=O)cn2)Cl)C
InChi:InChI=1S/C12H11ClFN3O/c1-17-11(13)10(7-16-17)12(18)15-6-8-2-4-9(14)5-3-8/h2-5,7H,6H2,1H3,(H,15,18)
定義日:2019-02-22
最終更新日:2019-05-03
公開日:2019-05-08
識別子（ID）:5-chloro-N-[(4-fluorophenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide
LFY
LFY
表記:1-ethyl-N-[(4-fluorophenyl)methyl]-1H-imidazole-4-carboxamide
組成式:C13 H14 F N3 O
SMILES:n2(cnc(C(NCc1ccc(F)cc1)=O)c2)CC
InChi:InChI=1S/C13H14FN3O/c1-2-17-8-12(16-9-17)13(18)15-7-10-3-5-11(14)6-4-10/h3-6,8-9H,2,7H2,1H3,(H,15,18)
定義日:2019-02-22
最終更新日:2019-05-03
公開日:2019-05-08
識別子（ID）:1-ethyl-N-[(4-fluorophenyl)methyl]-1H-imidazole-4-carboxamide
LH7
LH7
表記:1-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
組成式:C16 H18 F N3 O3 S
SMILES:n2n(C1CCS(C1)(=O)=O)c(C)c(c2)C(NCc3ccc(cc3)F)=O
InChi:InChI=1S/C16H18FN3O3S/c1-11-15(9-19-20(11)14-6-7-24(22,23)10-14)16(21)18-8-12-2-4-13(17)5-3-12/h2-5,9,14H,6-8,10H2,1H3,(H,18,21)/t14-/m0/s1
定義日:2019-02-22
最終更新日:2019-05-03
公開日:2019-05-08
識別子（ID）:1-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
LHM
LHM
表記:N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
組成式:C15 H16 F N3 O
SMILES:N(Cc1ccc(cc1)F)C(=O)c2cnn3c2CCCC3
InChi:InChI=1S/C15H16FN3O/c16-12-6-4-11(5-7-12)9-17-15(20)13-10-18-19-8-2-1-3-14(13)19/h4-7,10H,1-3,8-9H2,(H,17,20)
定義日:2019-02-22
最終更新日:2019-05-03
公開日:2019-05-08
識別子（ID）:N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
LHS
LHS
表記:N-[(4-fluorophenyl)methyl]-5-(methoxymethyl)-1,2,4-oxadiazole-3-carboxamide
組成式:C12 H12 F N3 O3
SMILES:n2c(C(NCc1ccc(F)cc1)=O)noc2COC
InChi:InChI=1S/C12H12FN3O3/c1-18-7-10-15-11(16-19-10)12(17)14-6-8-2-4-9(13)5-3-8/h2-5H,6-7H2,1H3,(H,14,17)
定義日:2019-02-22
最終更新日:2019-05-03
公開日:2019-05-08
識別子（ID）:N-[(4-fluorophenyl)methyl]-5-(methoxymethyl)-1,2,4-oxadiazole-3-carboxamide
LJ7
LJ7
表記:N-[(4-fluorophenyl)methyl]-1-(propan-2-yl)-1H-pyrazole-3-carboxamide
組成式:C14 H16 F N3 O
SMILES:n1(nc(cc1)C(NCc2ccc(cc2)F)=O)C(C)C
InChi:InChI=1S/C14H16FN3O/c1-10(2)18-8-7-13(17-18)14(19)16-9-11-3-5-12(15)6-4-11/h3-8,10H,9H2,1-2H3,(H,16,19)
定義日:2019-02-22
最終更新日:2019-05-03
公開日:2019-05-08
識別子（ID）:N-[(4-fluorophenyl)methyl]-1-(propan-2-yl)-1H-pyrazole-3-carboxamide
LJA
LJA
表記:N-[3-(carbamoylamino)phenyl]acetamide
組成式:C9 H11 N3 O2
SMILES:N(C(C)=O)c1cccc(c1)NC(N)=O
InChi:InChI=1S/C9H11N3O2/c1-6(13)11-7-3-2-4-8(5-7)12-9(10)14/h2-5H,1H3,(H,11,13)(H3,10,12,14)
定義日:2019-02-22
最終更新日:2019-05-03
公開日:2019-05-08
識別子（ID）:N-[3-(carbamoylamino)phenyl]acetamide
LJD
LJD
表記:N-[(4-chlorophenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide
組成式:C12 H12 Cl N3 O
SMILES:n1(cc(cn1)C(NCc2ccc(Cl)cc2)=O)C
InChi:InChI=1S/C12H12ClN3O/c1-16-8-10(7-15-16)12(17)14-6-9-2-4-11(13)5-3-9/h2-5,7-8H,6H2,1H3,(H,14,17)
定義日:2019-02-22
最終更新日:2019-05-03
公開日:2019-05-08
識別子（ID）:N-[(4-chlorophenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide
LJJ
LJJ
表記:N-cycloheptyl-5-methyl-1,3,4-oxadiazol-2-amine
組成式:C10 H17 N3 O
SMILES:n2nc(NC1CCCCCC1)oc2C
InChi:InChI=1S/C10H17N3O/c1-8-12-13-10(14-8)11-9-6-4-2-3-5-7-9/h9H,2-7H2,1H3,(H,11,13)
定義日:2019-02-22
最終更新日:2019-05-03
公開日:2019-05-08
識別子（ID）:N-cycloheptyl-5-methyl-1,3,4-oxadiazol-2-amine
LJM
LJM
表記:5-ethyl-N-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carboxamide
組成式:C13 H13 F N2 O S
SMILES:n2c(C(NCc1ccc(F)cc1)=O)sc(c2)CC
InChi:InChI=1S/C13H13FN2OS/c1-2-11-8-16-13(18-11)12(17)15-7-9-3-5-10(14)6-4-9/h3-6,8H,2,7H2,1H3,(H,15,17)
定義日:2019-02-22
最終更新日:2019-05-03
公開日:2019-05-08
識別子（ID）:5-ethyl-N-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carboxamide
M3D
M3D
表記:7-(3-cyano-4-hydroxyphenyl)-N-[2-(morpholin-4-yl)ethyl]dibenzo[b,f]oxepine-10-carboxamide
組成式:C28 H25 N3 O4
SMILES:C2=C(C(=O)NCCN1CCOCC1)c4ccc(cc4Oc3c2cccc3)c5ccc(O)c(C#N)c5
InChi:InChI=1S/C28H25N3O4/c29-18-22-15-19(6-8-25(22)32)20-5-7-23-24(28(33)30-9-10-31-11-13-34-14-12-31)16-21-3-1-2-4-26(21)35-27(23)17-20/h1-8,15-17,32H,9-14H2,(H,30,33)
定義日:2019-03-20
最終更新日:2019-05-03
公開日:2019-05-08
識別子（ID）:7-(3-cyano-4-hydroxyphenyl)-N-[2-(morpholin-4-yl)ethyl]dibenzo[b,f]oxepine-10-carboxamide

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