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C3I
C3I
表記:N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylcyclopentane-1-carboxamide
組成式:C22 H26 N2 O3
SMILES:O=C(N(C)CC(=O)Nc1ccc(OC)cc1)C1(CCCC1)c1ccccc1
InChi:InChI=1S/C22H26N2O3/c1-24(16-20(25)23-18-10-12-19(27-2)13-11-18)21(26)22(14-6-7-15-22)17-8-4-3-5-9-17/h3-5,8-13H,6-7,14-16H2,1-2H3,(H,23,25)
定義日:2021-11-18
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylcyclopentane-1-carboxamide
BOV
BOV
表記:4-fluoranyl-~{N}-[(2~{S})-1-[2-(2-fluoranylethanoyl)-2-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]hydrazinyl]-4-methyl-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide
組成式:C22 H27 F2 N5 O4
SMILES:CC(C)C[CH](NC(=O)c1[nH]c2cccc(F)c2c1)C(=O)NN(C[CH]3CCNC3=O)C(=O)CF
InChi:InChI=1S/C22H27F2N5O4/c1-12(2)8-17(27-21(32)18-9-14-15(24)4-3-5-16(14)26-18)22(33)28-29(19(30)10-23)11-13-6-7-25-20(13)31/h3-5,9,12-13,17,26H,6-8,10-11H2,1-2H3,(H,25,31)(H,27,32)(H,28,33)/t13-,17-/m0/s1
定義日:2022-03-29
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:4-fluoranyl-~{N}-[(2~{S})-1-[2-(2-fluoranylethanoyl)-2-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]hydrazinyl]-4-methyl-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide
8O9
8O9
表記:(3S)-piperidin-3-ol
組成式:C5 H11 N O
SMILES:O[CH]1CCCNC1
InChi:InChI=1S/C5H11NO/c7-5-2-1-3-6-4-5/h5-7H,1-4H2/t5-/m0/s1
別名:(S)-3-Hydroxypiperidine
定義日:2021-10-28
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:(3~{S})-piperidin-3-ol
8PB
8PB
表記:(3R)-1-methylpyrrolidin-3-ol
組成式:C5 H11 N O
SMILES:CN1CC[CH](O)C1
InChi:InChI=1S/C5H11NO/c1-6-3-2-5(7)4-6/h5,7H,2-4H2,1H3/t5-/m1/s1
別名:(R)-3-Hydroxy-1-methylpyrrolidine
定義日:2021-10-28
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:(3~{R})-1-methylpyrrolidin-3-ol
8QR
8QR
表記:(3R)-3-aminopyrrolidin-2-one
組成式:C4 H8 N2 O
SMILES:N[CH]1CCNC1=O
InChi:InChI=1S/C4H8N2O/c5-3-1-2-6-4(3)7/h3H,1-2,5H2,(H,6,7)/t3-/m1/s1
別名:(3R)-3-azanylpyrrolidin-2-one
定義日:2021-10-28
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:(3~{R})-3-azanylpyrrolidin-2-one
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
8T6
8T6
表記:N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
組成式:C23 H32 N4 O4
SMILES:CC(C)(C)CC(NC(=O)c1cc2ccccc2[NH]1)C(=O)NC(CC1CCNC1=O)CO
InChi:InChI=1S/C23H32N4O4/c1-23(2,3)12-19(22(31)25-16(13-28)10-15-8-9-24-20(15)29)27-21(30)18-11-14-6-4-5-7-17(14)26-18/h4-7,11,15-16,19,26,28H,8-10,12-13H2,1-3H3,(H,24,29)(H,25,31)(H,27,30)/t15-,16-,19-/m0/s1
定義日:2021-09-30
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
8UI
8UI
表記:N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4,4-dimethyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
組成式:C24 H34 N4 O5
SMILES:COc1cccc2[NH]c(cc12)C(=O)NC(CC(C)(C)C)C(=O)NC(CC1CCNC1=O)CO
InChi:InChI=1S/C24H34N4O5/c1-24(2,3)12-19(23(32)26-15(13-29)10-14-8-9-25-21(14)30)28-22(31)18-11-16-17(27-18)6-5-7-20(16)33-4/h5-7,11,14-15,19,27,29H,8-10,12-13H2,1-4H3,(H,25,30)(H,26,32)(H,28,31)/t14-,15-,19-/m0/s1
定義日:2021-09-30
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4,4-dimethyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
8II
8II
表記:3-({4-[2-(3-chloroanilino)pyrimidin-4-yl]pyridin-2-yl}amino)propan-1-ol
組成式:C18 H18 Cl N5 O
SMILES:OCCCNc1nccc(c1)c1ccnc(Nc2cc(Cl)ccc2)n1
InChi:InChI=1S/C18H18ClN5O/c19-14-3-1-4-15(12-14)23-18-22-9-6-16(24-18)13-5-8-21-17(11-13)20-7-2-10-25/h1,3-6,8-9,11-12,25H,2,7,10H2,(H,20,21)(H,22,23,24)
定義日:2021-09-20
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:3-({4-[2-(3-chloroanilino)pyrimidin-4-yl]pyridin-2-yl}amino)propan-1-ol
TQF
TQF
表記:[(1'R)-1'-{4-[(1-ethylazetidin-3-yl)oxy]phenyl}-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
組成式:C29 H30 N2 O3
SMILES:CCN1CC(C1)Oc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C(=O)c1ccccc1
InChi:InChI=1S/C29H30N2O3/c1-2-30-18-25(19-30)34-24-11-8-20(9-12-24)27-26-13-10-23(32)16-22(26)17-29(14-15-29)31(27)28(33)21-6-4-3-5-7-21/h3-13,16,25,27,32H,2,14-15,17-19H2,1H3/t27-/m1/s1
定義日:2022-07-28
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:[(1'R)-1'-{4-[(1-ethylazetidin-3-yl)oxy]phenyl}-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
E3I
E3I
表記:3-chloro-5-{7-[2-({5-chloro-2-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-4-yl}amino)-2-oxoethyl]-3-methyl-4-oxo-2-(trifluoromethyl)-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-hydroxybenzamide
組成式:C30 H29 Cl2 F3 N8 O5
SMILES:NC(=O)c1cc(cc(Cl)c1O)c1cn(CC(=O)Nc2cc(ncc2Cl)N2CCN(CC2C)C2COC2)c2N=C(N(C)C(=O)c12)C(F)(F)F
InChi:InChI=1S/C30H29Cl2F3N8O5/c1-14-9-41(16-12-48-13-16)3-4-43(14)22-7-21(20(32)8-37-22)38-23(44)11-42-10-18(15-5-17(26(36)46)25(45)19(31)6-15)24-27(42)39-29(30(33,34)35)40(2)28(24)47/h5-8,10,14,16,45H,3-4,9,11-13H2,1-2H3,(H2,36,46)(H,37,38,44)/t14-/m0/s1
定義日:2021-12-01
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:3-chloro-5-{7-[2-({5-chloro-2-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-4-yl}amino)-2-oxoethyl]-3-methyl-4-oxo-2-(trifluoromethyl)-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-hydroxybenzamide
EQK
EQK
表記:N-[5-[2-(2-cyanopropan-2-yl)pyridin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxy-pyrimidine-5-carboxamide
組成式:C20 H17 F3 N6 O3 S
SMILES:COc1ncnc(OC)c1C(=O)Nc2sc(c3ccnc(c3)C(C)(C)C#N)c(n2)C(F)(F)F
InChi:InChI=1S/C20H17F3N6O3S/c1-19(2,8-24)11-7-10(5-6-25-11)13-14(20(21,22)23)28-18(33-13)29-15(30)12-16(31-3)26-9-27-17(12)32-4/h5-7,9H,1-4H3,(H,28,29,30)
定義日:2022-04-21
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:~{N}-[5-[2-(2-cyanopropan-2-yl)pyridin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxy-pyrimidine-5-carboxamide
ETL
ETL
表記:1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-1H-pyrazolo[4,3-b]pyridin-5-yl-D-prolinamide
組成式:C23 H24 Cl N5 O2
SMILES:Clc1ccc(cc1)C1(CCCC1)C(=O)N1CCCC1C(=O)Nc1ccc2[NH]ncc2n1
InChi:InChI=1S/C23H24ClN5O2/c24-16-7-5-15(6-8-16)23(11-1-2-12-23)22(31)29-13-3-4-19(29)21(30)27-20-10-9-17-18(26-20)14-25-28-17/h5-10,14,19H,1-4,11-13H2,(H,25,28)(H,26,27,30)/t19-/m1/s1
定義日:2021-12-13
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-1H-pyrazolo[4,3-b]pyridin-5-yl-D-prolinamide
I80
I80
表記:(1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-{[4-(trifluoromethoxy)phenoxy]acetyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide
組成式:C24 H30 F3 N3 O6
SMILES:CC1(C)C2C(C(=O)NC(CC3CCNC3=O)CO)N(CC21)C(=O)COc1ccc(OC(F)(F)F)cc1
InChi:InChI=1S/C24H30F3N3O6/c1-23(2)17-10-30(18(32)12-35-15-3-5-16(6-4-15)36-24(25,26)27)20(19(17)23)22(34)29-14(11-31)9-13-7-8-28-21(13)33/h3-6,13-14,17,19-20,31H,7-12H2,1-2H3,(H,28,33)(H,29,34)/t13-,14-,17-,19-,20-/m0/s1
定義日:2021-10-01
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:(1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-{[4-(trifluoromethoxy)phenoxy]acetyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide
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
IQ4
IQ4
表記:~{N}-[3-[[3-[3-[3-[3-[(4-hydroxyphenyl)carbothioylamino]propanethioylamino]propanethioylamino]propylamino]-3-sulfanylidene-propyl]amino]-3-sulfanylidene-propyl]-4-oxidanyl-benzenecarbothioamide
組成式:C29 H38 N6 O2 S6
SMILES:Oc1ccc(cc1)C(=S)NCCC(=S)NCCC(=S)NCCCNC(=S)CCNC(=S)CCNC(=S)c2ccc(O)cc2
InChi:InChI=1S/C29H38N6O2S6/c36-22-6-2-20(3-7-22)28(42)34-18-12-26(40)32-16-10-24(38)30-14-1-15-31-25(39)11-17-33-27(41)13-19-35-29(43)21-4-8-23(37)9-5-21/h2-9,36-37H,1,10-19H2,(H,30,38)(H,31,39)(H,32,40)(H,33,41)(H,34,42)(H,35,43)
別名:Closthioamide
定義日:2022-04-06
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:~{N}-[3-[[3-[3-[3-[3-[(4-hydroxyphenyl)carbothioylamino]propanethioylamino]propanethioylamino]propylamino]-3-sulfanylidene-propyl]amino]-3-sulfanylidene-propyl]-4-oxidanyl-benzenecarbothioamide
ITO
ITO
表記:[6,7-bis(chloranyl)-3-phosphono-quinoxalin-2-yl]phosphonic acid
組成式:C8 H6 Cl2 N2 O6 P2
SMILES:O[P](O)(=O)c1nc2cc(Cl)c(Cl)cc2nc1[P](O)(O)=O
InChi:InChI=1S/C8H6Cl2N2O6P2/c9-3-1-5-6(2-4(3)10)12-8(20(16,17)18)7(11-5)19(13,14)15/h1-2H,(H2,13,14,15)(H2,16,17,18)
定義日:2022-04-12
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:[6,7-bis(chloranyl)-3-phosphono-quinoxalin-2-yl]phosphonic acid
IWU
IWU
表記:6-bromanyl-3H-[1,2,3]triazolo[4,5-b]pyridine
組成式:C5 H3 Br N4
SMILES:Brc1cnc2[nH]nnc2c1
InChi:InChI=1S/C5H3BrN4/c6-3-1-4-5(7-2-3)9-10-8-4/h1-2H,(H,7,8,9,10)
定義日:2022-04-14
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:6-bromanyl-3~{H}-[1,2,3]triazolo[4,5-b]pyridine
VDI
VDI
表記:1-(4-chlorophenyl)cyclobutane-1-carboxylic acid
組成式:C11 H11 Cl O2
SMILES:OC(=O)C1(CCC1)c1ccc(Cl)cc1
InChi:InChI=1S/C11H11ClO2/c12-9-4-2-8(3-5-9)11(10(13)14)6-1-7-11/h2-5H,1,6-7H2,(H,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）:1-(4-chlorophenyl)cyclobutane-1-carboxylic acid
W9U
W9U
表記:cyclohexyl[4-(hydroxyamino)piperidin-1-yl]methanone
組成式:C12 H22 N2 O2
SMILES:O=C(C1CCCCC1)N1CCC(NO)CC1
InChi:InChI=1S/C12H22N2O2/c15-12(10-4-2-1-3-5-10)14-8-6-11(13-16)7-9-14/h10-11,13,16H,1-9H2
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:cyclohexyl[4-(hydroxyamino)piperidin-1-yl]methanone
VSL
VSL
表記:methyl 4,5,6,7-tetrahydro-2H-indazole-3-carboxylate
組成式:C9 H12 N2 O2
SMILES:O=C(OC)c1[NH]nc2CCCCc12
InChi:InChI=1S/C9H12N2O2/c1-13-9(12)8-6-4-2-3-5-7(6)10-11-8/h2-5H2,1H3,(H,10,11)
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 4,5,6,7-tetrahydro-2H-indazole-3-carboxylate
WA0
WA0
表記:(1R)-2-(1H-imidazol-2-yl)-1-phenylethan-1-amine
組成式:C11 H13 N3
SMILES:NC(Cc1ncc[NH]1)c1ccccc1
InChi:InChI=1S/C11H13N3/c12-10(8-11-13-6-7-14-11)9-4-2-1-3-5-9/h1-7,10H,8,12H2,(H,13,14)/t10-/m1/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）:(1R)-2-(1H-imidazol-2-yl)-1-phenylethan-1-amine
VSQ
VSQ
表記:N~2~-phenylglycinamide
組成式:C8 H10 N2 O
SMILES:NC(=O)CNc1ccccc1
InChi:InChI=1S/C8H10N2O/c9-8(11)6-10-7-4-2-1-3-5-7/h1-5,10H,6H2,(H2,9,11)
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~2~-phenylglycinamide
VST
VST
表記:(4Z)-6-fluoro-4-(methoxyimino)-3,4-dihydro-1-benzothiopyran-1,1(2H)-dione
組成式:C10 H10 F N O3 S
SMILES:Fc1ccc2c(c1)C(/CCS2(=O)=O)=NOC
InChi:InChI=1S/C10H10FNO3S/c1-15-12-9-4-5-16(13,14)10-3-2-7(11)6-8(9)10/h2-3,6H,4-5H2,1H3/b12-9-
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:(4Z)-6-fluoro-4-(methoxyimino)-3,4-dihydro-1-benzothiopyran-1,1(2H)-dione
WA8
WA8
表記:2-(2-oxopyridin-1(2H)-yl)-N,N-di(prop-2-en-1-yl)acetamide
組成式:C13 H16 N2 O2
SMILES:O=C(CN1C=CC=CC1=O)N(CC=C)CC=C
InChi:InChI=1S/C13H16N2O2/c1-3-8-14(9-4-2)13(17)11-15-10-6-5-7-12(15)16/h3-7,10H,1-2,8-9,11H2
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-(2-oxopyridin-1(2H)-yl)-N,N-di(prop-2-en-1-yl)acetamide

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