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DV9
DV9
表記:(2S)-2-azanyl-6,6-bis(fluoranyl)-5-oxidanylidene-6-phosphono-hexanoic acid
組成式:C6 H10 F2 N O6 P
SMILES:N[CH](CCC(=O)C(F)(F)[P](O)(O)=O)C(O)=O
InChi:InChI=1S/C6H10F2NO6P/c7-6(8,16(13,14)15)4(10)2-1-3(9)5(11)12/h3H,1-2,9H2,(H,11,12)(H2,13,14,15)/t3-/m0/s1
定義日:2019-09-06
最終更新日:2023-11-03
公開日:2021-09-08
識別子（ID）:(2~{S})-2-azanyl-6,6-bis(fluoranyl)-5-oxidanylidene-6-phosphono-hexanoic acid
DYG
DYG
表記:(3S)-3-amino-3-[(4Z)-1-(carboxymethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-imidazol-2-yl]propanoic acid
組成式:C15 H15 N3 O6
SMILES:O=C(O)CC(N)C1=N/C(C(=O)N1CC(=O)O)=Cc2ccc(O)cc2
InChi:InChI=1S/C15H15N3O6/c16-10(6-12(20)21)14-17-11(15(24)18(14)7-13(22)23)5-8-1-3-9(19)4-2-8/h1-5,10,19H,6-7,16H2,(H,20,21)(H,22,23)/b11-5-/t10-/m0/s1
別名:CHROMOPHORE (ASP-TYR-GLY)
定義日:2004-10-25
最終更新日:2023-11-03
識別子（ID）:(3S)-3-amino-3-{(4Z)-1-(carboxymethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}propanoic acid
DYL
DYL
表記:(2R)-2-aminopent-4-enoic acid
組成式:C5 H9 N O2
SMILES:O=C(O)C(N)C/C=C
InChi:InChI=1S/C5H9NO2/c1-2-3-4(6)5(7)8/h2,4H,1,3,6H2,(H,7,8)/t4-/m1/s1
定義日:2013-12-20
最終更新日:2023-11-03
公開日:2015-01-21
識別子（ID）:(2R)-2-aminopent-4-enoic acid
JQ0
JQ0
表記:methyl 2-[(3~{a}~{R},6~{R},8~{a}~{S})-6-(2-methylpropyl)-8-oxidanylidene-1,2,3,3~{a},6,8~{a}-hexahydropyrrolo[2,3-c]azepin-7-yl]ethanoate
組成式:C15 H24 N2 O3
SMILES:COC(=O)CN1[CH](CC(C)C)C=C[CH]2CCN[CH]2C1=O
InChi:InChI=1S/C15H24N2O3/c1-10(2)8-12-5-4-11-6-7-16-14(11)15(19)17(12)9-13(18)20-3/h4-5,10-12,14,16H,6-9H2,1-3H3/t11-,12-,14-/m0/s1
定義日:2023-08-08
最終更新日:2023-11-03
公開日:2023-08-16
識別子（ID）:methyl 2-[(3~{a}~{R},6~{R},8~{a}~{S})-6-(2-methylpropyl)-8-oxidanylidene-1,2,3,3~{a},6,8~{a}-hexahydropyrrolo[2,3-c]azepin-7-yl]ethanoate
E03
E03
表記:6-FLUORO-D-TRYPTOPHAN
組成式:C11 H11 F N2 O2
SMILES:N[CH](Cc1c[nH]c2cc(F)ccc12)C(O)=O
InChi:InChI=1S/C11H11FN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m1/s1
別名:(2R)-2-azanyl-3-(6-fluoranyl-1H-indol-3-yl)propanoic acid
定義日:2019-09-27
最終更新日:2023-11-03
公開日:2019-10-16
識別子（ID）:(2~{R})-2-azanyl-3-(6-fluoranyl-1~{H}-indol-3-yl)propanoic acid
VLT
VLT
表記:(2E,4S)-4-amino-5-(4-hydroxyphenyl)pent-2-enoic acid
組成式:C11 H13 N O3
SMILES:O=C(O)C=CC(N)Cc1ccc(O)cc1
InChi:InChI=1S/C11H13NO3/c12-9(3-6-11(14)15)7-8-1-4-10(13)5-2-8/h1-6,9,13H,7,12H2,(H,14,15)/b6-3+/t9-/m1/s1
定義日:2010-09-24
最終更新日:2023-11-03
識別子（ID）:(2E,4S)-4-amino-5-(4-hydroxyphenyl)pent-2-enoic acid
VM9
VM9
表記:(6M)-6-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine
組成式:C29 H31 Cl F5 N7 O
SMILES:FC1CC2(CCCN2C1)COc1nc2c(F)c(c3nc(N)cc(C)c3C(F)(F)F)c(Cl)cc2c(n1)N1CC2CCC(N2)C1
InChi:InChI=1S/C29H31ClF5N7O/c1-14-7-20(36)38-25(22(14)29(33,34)35)21-19(30)8-18-24(23(21)32)39-27(40-26(18)41-11-16-3-4-17(12-41)37-16)43-13-28-5-2-6-42(28)10-15(31)9-28/h7-8,15-17,37H,2-6,9-13H2,1H3,(H2,36,38)/t15-,16-,17+,28+/m1/s1
定義日:2023-09-13
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(6M)-6-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine
E2G
E2G
表記:(2R)-N-[(4-{2-[(acetylamino)methyl]phenyl}-5-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-amino-2-hydroxyacetamide
組成式:C15 H20 N6 O3
SMILES:C(NC(C(N)O)=O)c1nnc(C)n1c2c(cccc2)CNC(C)=O
InChi:InChI=1S/C15H20N6O3/c1-9-19-20-13(8-18-15(24)14(16)23)21(9)12-6-4-3-5-11(12)7-17-10(2)22/h3-6,14,23H,7-8,16H2,1-2H3,(H,17,22)(H,18,24)/t14-/m1/s1
定義日:2017-11-27
最終更新日:2023-11-03
公開日:2017-12-27
識別子（ID）:(2R)-N-[(4-{2-[(acetylamino)methyl]phenyl}-5-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-amino-2-hydroxyacetamide
VNW
VNW
表記:8-azanyl-4-methylselanyl-quinoline-2-carboxylic acid
組成式:C11 H10 N2 O2 Se
SMILES:C[Se]c1cc(nc2c(N)cccc12)C(O)=O
InChi:InChI=1S/C11H10N2O2Se/c1-16-9-5-8(11(14)15)13-10-6(9)3-2-4-7(10)12/h2-5H,12H2,1H3,(H,14,15)
定義日:2023-09-14
最終更新日:2023-11-03
公開日:2023-10-11
識別子（ID）:8-azanyl-4-methylselanyl-quinoline-2-carboxylic acid
VO8
VO8
表記:5-(2-{2-[2-oxo-3-(prop-2-enoyl)-2,3-dihydro-1H-benzimidazol-1-yl]ethoxy}phenoxy)naphthalene-2-carbonitrile
組成式:C29 H23 N3 O4
SMILES:N#Cc1ccc2c(c1)cccc2Oc1ccccc1OCCN1c2ccccc2N(C(=O)CC)C1=O
InChi:InChI=1S/C29H23N3O4/c1-2-28(33)32-24-10-4-3-9-23(24)31(29(32)34)16-17-35-26-11-5-6-12-27(26)36-25-13-7-8-21-18-20(19-30)14-15-22(21)25/h3-15,18H,2,16-17H2,1H3
定義日:2023-09-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:5-{2-[2-(2-oxo-3-propanoyl-2,3-dihydro-1H-benzimidazol-1-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile
VOI
VOI
表記:3-(2-{[(4S)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N,N-dimethylpropanamide
組成式:C20 H19 N3 O3
SMILES:CN(C)C(=O)CCOc1ccccc1Oc1cccn2cc(cc12)C#N
InChi:InChI=1S/C20H19N3O3/c1-22(2)20(24)9-11-25-18-6-3-4-7-19(18)26-17-8-5-10-23-14-15(13-21)12-16(17)23/h3-8,10,12,14H,9,11H2,1-2H3
定義日:2023-09-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:3-(2-{[(4S)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N,N-dimethylpropanamide
VOU
VOU
表記:(4S)-8-{2-[3-oxo-3-(pyrrolidin-1-yl)propoxy]phenoxy}indolizine-2-carbonitrile
組成式:C22 H21 N3 O3
SMILES:O=C(CCOc1ccccc1Oc1cccn2cc(C#N)cc21)N1CCCC1
InChi:InChI=1S/C22H21N3O3/c23-15-17-14-18-19(8-5-12-25(18)16-17)28-21-7-2-1-6-20(21)27-13-9-22(26)24-10-3-4-11-24/h1-2,5-8,12,14,16H,3-4,9-11,13H2
定義日:2023-09-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4S)-8-{2-[3-oxo-3-(pyrrolidin-1-yl)propoxy]phenoxy}indolizine-2-carbonitrile
VP2
VP2
表記:3-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N-(2,2-difluoroethyl)propanamide
組成式:C20 H17 F2 N3 O3
SMILES:FC(F)CNC(=O)CCOc1ccccc1Oc1cccn2cc(cc12)C#N
InChi:InChI=1S/C20H17F2N3O3/c21-19(22)12-24-20(26)7-9-27-17-4-1-2-5-18(17)28-16-6-3-8-25-13-14(11-23)10-15(16)25/h1-6,8,10,13,19H,7,9,12H2,(H,24,26)
定義日:2023-09-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:3-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N-(2,2-difluoroethyl)propanamide
VPB
VPB
表記:(4S)-8-{2-[3-(morpholin-4-yl)-3-oxopropoxy]phenoxy}indolizine-2-carbonitrile
組成式:C22 H21 N3 O4
SMILES:O=C(CCOc1ccccc1Oc1cccn2cc(C#N)cc21)N1CCOCC1
InChi:InChI=1S/C22H21N3O4/c23-15-17-14-18-19(6-3-8-25(18)16-17)29-21-5-2-1-4-20(21)28-11-7-22(26)24-9-12-27-13-10-24/h1-6,8,14,16H,7,9-13H2
定義日:2023-09-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4S)-8-{2-[3-(morpholin-4-yl)-3-oxopropoxy]phenoxy}indolizine-2-carbonitrile
VPV
VPV
表記:(2E,4R)-2-{[(5S)-5-amino-5-carboxypentyl]imino}-4-hydroxyheptanedioic acid
組成式:C13 H22 N2 O7
SMILES:C(=O)(O)C(N)CCCC/N=C(/C(O)=O)CC(CCC(=O)O)O
InChi:InChI=1S/C13H22N2O7/c14-9(12(19)20)3-1-2-6-15-10(13(21)22)7-8(16)4-5-11(17)18/h8-9,16H,1-7,14H2,(H,17,18)(H,19,20)(H,21,22)/b15-10+/t8-,9+/m1/s1
定義日:2020-09-02
最終更新日:2023-11-03
公開日:2021-09-22
識別子（ID）:(2E,4R)-2-{[(5S)-5-amino-5-carboxypentyl]imino}-4-hydroxyheptanedioic acid
VQ0
VQ0
表記:3-chloro-5-{4-chloro-2-[2-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}benzonitrile
組成式:C19 H12 Cl3 N3 O4
SMILES:N#Cc1cc(cc(Cl)c1)Oc1ccc(Cl)cc1OCCN1C=C(Cl)C(=O)NC1=O
InChi:InChI=1S/C19H12Cl3N3O4/c20-12-1-2-16(29-14-6-11(9-23)5-13(21)7-14)17(8-12)28-4-3-25-10-15(22)18(26)24-19(25)27/h1-2,5-8,10H,3-4H2,(H,24,26,27)
定義日:2023-09-15
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:3-chloro-5-{4-chloro-2-[2-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}benzonitrile
VQK
VQK
表記:N-(3-{2-[5-chloro-2-(3-chloro-5-cyanophenoxy)phenoxy]ethyl}phenyl)prop-2-enamide
組成式:C24 H18 Cl2 N2 O3
SMILES:Clc1cc(OCCc2cccc(NC(=O)C=C)c2)c(Oc2cc(C#N)cc(Cl)c2)cc1
InChi:InChI=1S/C24H18Cl2N2O3/c1-2-24(29)28-20-5-3-4-16(11-20)8-9-30-23-14-18(25)6-7-22(23)31-21-12-17(15-27)10-19(26)13-21/h2-7,10-14H,1,8-9H2,(H,28,29)
定義日:2023-09-15
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-(3-{2-[5-chloro-2-(3-chloro-5-cyanophenoxy)phenoxy]ethyl}phenyl)prop-2-enamide
VQT
VQT
表記:(4M)-4-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-7-fluoro-1,3-benzothiazol-2-amine
組成式:C29 H29 Cl F3 N7 O S
SMILES:FC1CC2(CCCN2C1)COc1nc2c(F)c(c3ccc(F)c4sc(N)nc34)c(Cl)cc2c(n1)N1CC2CCC(N2)C1
InChi:InChI=1S/C29H29ClF3N7OS/c30-19-8-18-23(22(33)21(19)17-4-5-20(32)25-24(17)36-27(34)42-25)37-28(38-26(18)39-11-15-2-3-16(12-39)35-15)41-13-29-6-1-7-40(29)10-14(31)9-29/h4-5,8,14-16,35H,1-3,6-7,9-13H2,(H2,34,36)/t14-,15-,16+,29+/m1/s1
定義日:2023-09-15
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4M)-4-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-7-fluoro-1,3-benzothiazol-2-amine
VR5
VR5
表記:(4P)-2-amino-4-{4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-7-yl}-7-fluoro-1-benzothiophene-3-carbonitrile
組成式:C32 H29 F6 N7 O S
SMILES:FC(F)(F)c1cc2c(nc(OCC34CCCN4CC(F)C3)nc2c(F)c1c1ccc(F)c2sc(N)c(C#N)c12)N1CC2CCC(N2)C1
InChi:InChI=1S/C32H29F6N7OS/c33-15-9-31(6-1-7-45(31)11-15)14-46-30-42-26-19(29(43-30)44-12-16-2-3-17(13-44)41-16)8-21(32(36,37)38)24(25(26)35)18-4-5-22(34)27-23(18)20(10-39)28(40)47-27/h4-5,8,15-17,41H,1-3,6-7,9,11-14,40H2/t15-,16-,17+,31+/m1/s1
定義日:2023-09-15
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4P)-2-amino-4-{4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-7-yl}-7-fluoro-1-benzothiophene-3-carbonitrile
VR9
VR9
表記:N-[2-(5-chloro-2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide
組成式:C21 H20 Cl N3 O3
SMILES:CCC(=O)N(C)CCOc1cc(Cl)ccc1Oc1cccn2cc(cc12)C#N
InChi:InChI=1S/C21H20ClN3O3/c1-3-21(26)24(2)9-10-27-20-12-16(22)6-7-19(20)28-18-5-4-8-25-14-15(13-23)11-17(18)25/h4-8,11-12,14H,3,9-10H2,1-2H3
定義日:2023-09-15
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-[2-(5-chloro-2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide
VRF
VRF
表記:N-(2-{2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}ethyl)-N-methylprop-2-enamide
組成式:C23 H20 N2 O3
SMILES:C=CC(=O)N(C)CCOc1ccccc1Oc1cccc2cc(C#N)ccc21
InChi:InChI=1S/C23H20N2O3/c1-3-23(26)25(2)13-14-27-21-8-4-5-9-22(21)28-20-10-6-7-18-15-17(16-24)11-12-19(18)20/h3-12,15H,1,13-14H2,2H3
定義日:2023-09-15
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-(2-{2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}ethyl)-N-methylprop-2-enamide
E5X
E5X
表記:4-(hydroxymethyl)benzoic acid
組成式:C8 H8 O3
SMILES:OCc1ccc(cc1)C(O)=O
InChi:InChI=1S/C8H8O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2,(H,10,11)
定義日:2019-10-24
最終更新日:2023-11-03
公開日:2020-07-15
識別子（ID）:4-(hydroxymethyl)benzoic acid
VRQ
VRQ
表記:N-(2-{5-chloro-2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}ethyl)-N-methylprop-2-enamide
組成式:C23 H19 Cl N2 O3
SMILES:Clc1cc(OCCN(C)C(=O)C=C)c(Oc2cccc3cc(C#N)ccc23)cc1
InChi:InChI=1S/C23H19ClN2O3/c1-3-23(27)26(2)11-12-28-22-14-18(24)8-10-21(22)29-20-6-4-5-17-13-16(15-25)7-9-19(17)20/h3-10,13-14H,1,11-12H2,2H3
定義日:2023-09-15
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-(2-{5-chloro-2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}ethyl)-N-methylprop-2-enamide
E6F
E6F
表記:(1~{S},2~{S})-2-azanylcyclohexane-1-carboxylic acid
組成式:C7 H13 N O2
SMILES:N[CH]1CCCC[CH]1C(O)=O
InChi:InChI=1S/C7H13NO2/c8-6-4-2-1-3-5(6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/t5-,6-/m0/s1
定義日:2019-10-29
最終更新日:2023-11-03
公開日:2020-09-02
識別子（ID）:(1~{S},2~{S})-2-azanylcyclohexane-1-carboxylic acid
E7P
E7P
表記:(2S)-2-amino-4-phosphonobutanoic acid
組成式:C4 H10 N O5 P
SMILES:OP(=O)(CCC(C(O)=O)N)O
InChi:InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1
定義日:2017-12-06
最終更新日:2023-11-03
公開日:2018-02-07
識別子（ID）:(2S)-2-amino-4-phosphonobutanoic acid

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