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8R1
8R1
表記:(R)-2-Aminobutanamide
組成式:C4 H10 N2 O
SMILES:CC[CH](N)C(N)=O
InChi:InChI=1S/C4H10N2O/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H2,6,7)/t3-/m1/s1
別名:(2R)-2-azanylbutanamide
定義日:2021-10-28
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:(2~{R})-2-azanylbutanamide
IFW
IFW
表記:(2~{R})-~{N}-[2-[4-[(2-acetamidophenoxy)methyl]-1,2,3-triazol-1-yl]ethyl]-2-(2-methylpropyl)-~{N}'-oxidanyl-propanediamide
組成式:C20 H28 N6 O5
SMILES:CC(C)C[CH](C(=O)NO)C(=O)NCCn1cc(COc2ccccc2NC(C)=O)nn1
InChi:InChI=1S/C20H28N6O5/c1-13(2)10-16(20(29)24-30)19(28)21-8-9-26-11-15(23-25-26)12-31-18-7-5-4-6-17(18)22-14(3)27/h4-7,11,13,16,30H,8-10,12H2,1-3H3,(H,21,28)(H,22,27)(H,24,29)/t16-/m1/s1
定義日:2022-03-17
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:(2~{R})-~{N}-[2-[4-[(2-acetamidophenoxy)methyl]-1,2,3-triazol-1-yl]ethyl]-2-(2-methylpropyl)-~{N}'-oxidanyl-propanediamide
V92
V92
表記:4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonitrile
組成式:C10 H6 N2 O2
SMILES:OC=1c2ccccc2NC(=O)C=1C#N
InChi:InChI=1S/C10H6N2O2/c11-5-7-9(13)6-3-1-2-4-8(6)12-10(7)14/h1-4H,(H2,12,13,14)
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonitrile
VNU
VNU
表記:N-(1-phenylcyclobutyl)glycinamide
組成式:C12 H16 N2 O
SMILES:O=C(NC1(CCC1)c1ccccc1)CN
InChi:InChI=1S/C12H16N2O/c13-9-11(15)14-12(7-4-8-12)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,13H2,(H,14,15)
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:N-(1-phenylcyclobutyl)glycinamide
VNX
VNX
表記:5-cyclopropyl-2H-tetrazole
組成式:C4 H6 N4
SMILES:C1CC1c1n[NH]nn1
InChi:InChI=1S/C4H6N4/c1-2-3(1)4-5-7-8-6-4/h3H,1-2H2,(H,5,6,7,8)
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:5-cyclopropyl-2H-tetrazole
V99
V99
表記:3-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-amine
組成式:C6 H12 N4 S
SMILES:CCSc1nnc(CC)n1N
InChi:InChI=1S/C6H12N4S/c1-3-5-8-9-6(10(5)7)11-4-2/h3-4,7H2,1-2H3
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:3-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-amine
WKH
WKH
表記:N~2~-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-ethylglycinamide
組成式:C12 H16 F2 N2 O
SMILES:Fc1cc(F)ccc1C(C)NCC(=O)NCC
InChi:InChI=1S/C12H16F2N2O/c1-3-15-12(17)7-16-8(2)10-5-4-9(13)6-11(10)14/h4-6,8,16H,3,7H2,1-2H3,(H,15,17)/t8-/m1/s1
定義日:2022-09-19
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:N~2~-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-ethylglycinamide
WKL
WKL
表記:N-(2-aminoethyl)-N-(cyanomethyl)thiophene-2-carboxamide
組成式:C9 H11 N3 O S
SMILES:O=C(N(CCN)CC#N)c1cccs1
InChi:InChI=1S/C9H11N3OS/c10-3-5-12(6-4-11)9(13)8-2-1-7-14-8/h1-2,7H,3,5-6,10H2
定義日:2022-09-20
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:N-(2-aminoethyl)-N-(cyanomethyl)thiophene-2-carboxamide
W4C
W4C
表記:2,4-dichloro-N-ethyl-N-(2-hydroxyethyl)benzamide
組成式:C11 H13 Cl2 N O2
SMILES:O=C(c1ccc(Cl)cc1Cl)N(CC)CCO
InChi:InChI=1S/C11H13Cl2NO2/c1-2-14(5-6-15)11(16)9-4-3-8(12)7-10(9)13/h3-4,7,15H,2,5-6H2,1H3
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:2,4-dichloro-N-ethyl-N-(2-hydroxyethyl)benzamide
VO5
VO5
表記:N-ethyl-2-methoxybenzene-1-sulfonamide
組成式:C9 H13 N O3 S
SMILES:O=S(=O)(NCC)c1ccccc1OC
InChi:InChI=1S/C9H13NO3S/c1-3-10-14(11,12)9-7-5-4-6-8(9)13-2/h4-7,10H,3H2,1-2H3
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:N-ethyl-2-methoxybenzene-1-sulfonamide
V9I
V9I
表記:ethyl (3S)-3-(methoxycarbamoyl)piperidine-1-carboxylate
組成式:C10 H18 N2 O4
SMILES:CONC(=O)C1CCCN(C1)C(=O)OCC
InChi:InChI=1S/C10H18N2O4/c1-3-16-10(14)12-6-4-5-8(7-12)9(13)11-15-2/h8H,3-7H2,1-2H3,(H,11,13)/t8-/m0/s1
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:ethyl (3S)-3-(methoxycarbamoyl)piperidine-1-carboxylate
W4H
W4H
表記:N-[(1S)-1-cyanopropyl]benzamide
組成式:C11 H12 N2 O
SMILES:O=C(NC(C#N)CC)c1ccccc1
InChi:InChI=1S/C11H12N2O/c1-2-10(8-12)13-11(14)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3,(H,13,14)/t10-/m0/s1
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:N-[(1S)-1-cyanopropyl]benzamide
VO9
VO9
表記:N-cyclopropyl-N-(2-hydroxyethyl)thiophene-2-carboxamide
組成式:C10 H13 N O2 S
SMILES:O=C(N(CCO)C1CC1)c1cccs1
InChi:InChI=1S/C10H13NO2S/c12-6-5-11(8-3-4-8)10(13)9-2-1-7-14-9/h1-2,7-8,12H,3-6H2
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:N-cyclopropyl-N-(2-hydroxyethyl)thiophene-2-carboxamide
VOE
VOE
表記:(2R)-2-phenylbutan-1-amine
組成式:C10 H15 N
SMILES:NCC(CC)c1ccccc1
InChi:InChI=1S/C10H15N/c1-2-9(8-11)10-6-4-3-5-7-10/h3-7,9H,2,8,11H2,1H3/t9-/m0/s1
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:(2R)-2-phenylbutan-1-amine
V9P
V9P
表記:1-(2-chloroethyl)-1H-imidazole
組成式:C5 H7 Cl N2
SMILES:ClCCn1ccnc1
InChi:InChI=1S/C5H7ClN2/c6-1-3-8-4-2-7-5-8/h2,4-5H,1,3H2
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:1-(2-chloroethyl)-1H-imidazole
UTE
UTE
表記:4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-methyl-2-(2-methylphenoxy)benzenecarbonitrile
組成式:C20 H14 F3 N3 O3
SMILES:Cc1ccccc1Oc2cc(N3C(=O)NC(=CC3=O)C(F)(F)F)c(C)cc2C#N
InChi:InChI=1S/C20H14F3N3O3/c1-11-5-3-4-6-15(11)29-16-8-14(12(2)7-13(16)10-24)26-18(27)9-17(20(21,22)23)25-19(26)28/h3-9H,1-2H3,(H,25,28)
別名:4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-5-methyl-2-(2-methylphenoxy)benzenecarbonitrile
定義日:2021-03-17
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-5-methyl-2-(2-methylphenoxy)benzenecarbonitrile
W4R
W4R
表記:methyl N-[(2,6-dichlorophenyl)acetyl]-N-methylglycinate
組成式:C12 H13 Cl2 N O3
SMILES:Clc1cccc(Cl)c1CC(=O)N(C)CC(=O)OC
InChi:InChI=1S/C12H13Cl2NO3/c1-15(7-12(17)18-2)11(16)6-8-9(13)4-3-5-10(8)14/h3-5H,6-7H2,1-2H3
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:methyl N-[(2,6-dichlorophenyl)acetyl]-N-methylglycinate
VOK
VOK
表記:5,5-diethyl-1-methyl-1,3-diazinane-2,4,6-trione
組成式:C9 H14 N2 O3
SMILES:O=C1NC(=O)N(C)C(=O)C1(CC)CC
InChi:InChI=1S/C9H14N2O3/c1-4-9(5-2)6(12)10-8(14)11(3)7(9)13/h4-5H2,1-3H3,(H,10,12,14)
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:5,5-diethyl-1-methyl-1,3-diazinane-2,4,6-trione
W4W
W4W
表記:({2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl}sulfanyl)acetonitrile
組成式:C11 H18 N2 O S
SMILES:O=C(CSCC#N)N1CCCCC1CC
InChi:InChI=1S/C11H18N2OS/c1-2-10-5-3-4-7-13(10)11(14)9-15-8-6-12/h10H,2-5,7-9H2,1H3/t10-/m0/s1
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:({2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl}sulfanyl)acetonitrile
UTK
UTK
表記:4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile
組成式:C19 H11 F4 N3 O3
SMILES:Cc1ccccc1Oc2cc(N3C(=O)NC(=CC3=O)C(F)(F)F)c(F)cc2C#N
InChi:InChI=1S/C19H11F4N3O3/c1-10-4-2-3-5-14(10)29-15-7-13(12(20)6-11(15)9-24)26-17(27)8-16(19(21,22)23)25-18(26)28/h2-8H,1H3,(H,25,28)
別名:4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile
定義日:2021-03-17
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile
V9X
V9X
表記:3-(1H-indol-3-yl)propanamide
組成式:C11 H12 N2 O
SMILES:NC(=O)CCc1c[NH]c2ccccc21
InChi:InChI=1S/C11H12N2O/c12-11(14)6-5-8-7-13-10-4-2-1-3-9(8)10/h1-4,7,13H,5-6H2,(H2,12,14)
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:3-(1H-indol-3-yl)propanamide
UTN
UTN
表記:4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-methoxy-2-(2-methylphenoxy)benzenecarbonitrile
組成式:C20 H14 F3 N3 O4
SMILES:COc1cc(C#N)c(Oc2ccccc2C)cc1N3C(=O)NC(=CC3=O)C(F)(F)F
InChi:InChI=1S/C20H14F3N3O4/c1-11-5-3-4-6-14(11)30-15-8-13(16(29-2)7-12(15)10-24)26-18(27)9-17(20(21,22)23)25-19(26)28/h3-9H,1-2H3,(H,25,28)
別名:4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-5-methoxy-2-(2-methylphenoxy)benzenecarbonitrile
定義日:2021-03-17
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-5-methoxy-2-(2-methylphenoxy)benzenecarbonitrile
W50
W50
表記:(2S)-1-(2-bromophenoxy)-3-(pyrrolidin-1-yl)propan-2-ol
組成式:C13 H18 Br N O2
SMILES:OC(COc1ccccc1Br)CN1CCCC1
InChi:InChI=1S/C13H18BrNO2/c14-12-5-1-2-6-13(12)17-10-11(16)9-15-7-3-4-8-15/h1-2,5-6,11,16H,3-4,7-10H2/t11-/m0/s1
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:(2S)-1-(2-bromophenoxy)-3-(pyrrolidin-1-yl)propan-2-ol
VOQ
VOQ
表記:N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2-dimethyl-L-alaninamide
組成式:C11 H19 N3 O2
SMILES:CN(Cc1c(C)onc1C)C(=O)C(C)(C)N
InChi:InChI=1S/C11H19N3O2/c1-7-9(8(2)16-13-7)6-14(5)10(15)11(3,4)12/h6,12H2,1-5H3
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2-dimethyl-L-alaninamide
WLK
WLK
表記:[(3R)-3-{[(4M)-4-(4-cyclopropyl-2-phenyl-1H-imidazol-1-yl)pyrimidin-2-yl]amino}pyrrolidin-1-yl](1,3-thiazol-2-yl)methanone
組成式:C24 H23 N7 O S
SMILES:O=C(N1CC(Nc2nc(ccn2)n2cc(nc2c2ccccc2)C2CC2)CC1)c1nccs1
InChi:InChI=1S/C24H23N7OS/c32-23(22-25-11-13-33-22)30-12-9-18(14-30)27-24-26-10-8-20(29-24)31-15-19(16-6-7-16)28-21(31)17-4-2-1-3-5-17/h1-5,8,10-11,13,15-16,18H,6-7,9,12,14H2,(H,26,27,29)/t18-/m1/s1
定義日:2022-09-28
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:[(3R)-3-{[(4M)-4-(4-cyclopropyl-2-phenyl-1H-imidazol-1-yl)pyrimidin-2-yl]amino}pyrrolidin-1-yl](1,3-thiazol-2-yl)methanone

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件を2024-10-09に公開中

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