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VTN
VTN
表記:N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}prop-2-enamide
組成式:C18 H14 Cl2 N2 O2
SMILES:Clc1ccc(cc1Oc1cc(C#N)cc(Cl)c1)CCNC(=O)C=C
InChi:InChI=1S/C18H14Cl2N2O2/c1-2-18(23)22-6-5-12-3-4-16(20)17(9-12)24-15-8-13(11-21)7-14(19)10-15/h2-4,7-10H,1,5-6H2,(H,22,23)
定義日:2023-09-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}prop-2-enamide
VTS
VTS
表記:N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenoxy]ethyl}-N-methylprop-2-enamide
組成式:C19 H16 Cl2 N2 O3
SMILES:Clc1ccc(cc1Oc1cc(C#N)cc(Cl)c1)OCCN(C)C(=O)C=C
InChi:InChI=1S/C19H16Cl2N2O3/c1-3-19(24)23(2)6-7-25-15-4-5-17(21)18(11-15)26-16-9-13(12-22)8-14(20)10-16/h3-5,8-11H,1,6-7H2,2H3
定義日:2023-09-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenoxy]ethyl}-N-methylprop-2-enamide
VTV
VTV
表記:N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}-N-methylprop-2-enamide
組成式:C19 H16 Cl2 N2 O2
SMILES:Clc1ccc(cc1Oc1cc(C#N)cc(Cl)c1)CCN(C)C(=O)C=C
InChi:InChI=1S/C19H16Cl2N2O2/c1-3-19(24)23(2)7-6-13-4-5-17(21)18(10-13)25-16-9-14(12-22)8-15(20)11-16/h3-5,8-11H,1,6-7H2,2H3
定義日:2023-09-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}-N-methylprop-2-enamide
VU8
VU8
表記:N-{2-[5-chloro-2-(3-chloro-5-cyanophenoxy)phenoxy]ethyl}-N-methylprop-2-enamide
組成式:C19 H16 Cl2 N2 O3
SMILES:Clc1cc(OCCN(C)C(=O)C=C)c(Oc2cc(C#N)cc(Cl)c2)cc1
InChi:InChI=1S/C19H16Cl2N2O3/c1-3-19(24)23(2)6-7-25-18-11-14(20)4-5-17(18)26-16-9-13(12-22)8-15(21)10-16/h3-5,8-11H,1,6-7H2,2H3
定義日:2023-09-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-{2-[5-chloro-2-(3-chloro-5-cyanophenoxy)phenoxy]ethyl}-N-methylprop-2-enamide
E95
E95
表記:7-Methyl-L-Tryptophan
組成式:C12 H14 N2 O2
SMILES:Cc1cccc2c(C[CH](N)C(O)=O)c[nH]c12
InChi:InChI=1S/C12H14N2O2/c1-7-3-2-4-9-8(6-14-11(7)9)5-10(13)12(15)16/h2-4,6,10,14H,5,13H2,1H3,(H,15,16)/t10-/m0/s1
定義日:2018-03-06
最終更新日:2023-11-03
公開日:2019-02-13
識別子（ID）:(2~{S})-2-azanyl-3-(7-methyl-1~{H}-indol-3-yl)propanoic acid
E9C
E9C
表記:(2S)-2-azanyl-3-[3,4,6-tris(oxidanylidene)cyclohexen-1-yl]propanoic acid
組成式:C9 H9 N O5
SMILES:N[CH](CC1=CC(=O)C(=O)C(C1=O)([2H])[2H])C(O)=O
InChi:InChI=1S/C9H9NO5/c10-5(9(14)15)1-4-2-7(12)8(13)3-6(4)11/h2,5H,1,3,10H2,(H,14,15)/t5-/m0/s1/i3D2
定義日:2019-11-22
最終更新日:2023-11-03
公開日:2020-04-29
識別子（ID）:(2~{S})-2-azanyl-3-[3,4,6-tris(oxidanylidene)cyclohexen-1-yl]propanoic acid
VVE
VVE
表記:3-chloro-5-{4-chloro-2-[2-(2-oxo-3-propanoyl-2,3-dihydro-1H-benzimidazol-1-yl)ethoxy]phenoxy}benzonitrile
組成式:C25 H19 Cl2 N3 O4
SMILES:N#Cc1cc(cc(Cl)c1)Oc1ccc(Cl)cc1OCCN1c2ccccc2N(C(=O)CC)C1=O
InChi:InChI=1S/C25H19Cl2N3O4/c1-2-24(31)30-21-6-4-3-5-20(21)29(25(30)32)9-10-33-23-14-17(26)7-8-22(23)34-19-12-16(15-28)11-18(27)13-19/h3-8,11-14H,2,9-10H2,1H3
定義日:2023-09-19
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-(2-oxo-3-propanoyl-2,3-dihydro-1H-benzimidazol-1-yl)ethoxy]phenoxy}benzonitrile
E9M
E9M
表記:N-methyl-L-tryptophan
組成式:C12 H14 N2 O2
SMILES:N(C)C(Cc1cnc2c1cccc2)C(=O)O
InChi:InChI=1S/C12H14N2O2/c1-13-11(12(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,13-14H,6H2,1H3,(H,15,16)/t11-/m0/s1
定義日:2017-12-14
最終更新日:2023-11-03
公開日:2018-12-19
識別子（ID）:N-methyl-L-tryptophan
VVN
VVN
表記:N-[2-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide
組成式:C21 H21 N3 O3
SMILES:CCC(=O)N(C)CCOc1ccccc1Oc1cccn2cc(cc12)C#N
InChi:InChI=1S/C21H21N3O3/c1-3-21(25)23(2)11-12-26-19-7-4-5-8-20(19)27-18-9-6-10-24-15-16(14-22)13-17(18)24/h4-10,13,15H,3,11-12H2,1-2H3
定義日:2023-09-19
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-[2-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide
VW2
VW2
表記:N-[2-(2-{[(4R)-6-chloro-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide
組成式:C21 H20 Cl N3 O3
SMILES:CCC(=O)N(C)CCOc1ccccc1Oc1cc(Cl)cn2cc(cc12)C#N
InChi:InChI=1S/C21H20ClN3O3/c1-3-21(26)24(2)8-9-27-18-6-4-5-7-19(18)28-20-11-16(22)14-25-13-15(12-23)10-17(20)25/h4-7,10-11,13-14H,3,8-9H2,1-2H3
定義日:2023-09-19
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-[2-(2-{[(4R)-6-chloro-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide
VWB
VWB
表記:5-{2-[3-oxo-3-(pyrrolidin-1-yl)propoxy]phenoxy}naphthalene-2-carbonitrile
組成式:C24 H22 N2 O3
SMILES:O=C(CCOc1ccccc1Oc1cccc2cc(C#N)ccc21)N1CCCC1
InChi:InChI=1S/C24H22N2O3/c25-17-18-10-11-20-19(16-18)6-5-9-21(20)29-23-8-2-1-7-22(23)28-15-12-24(27)26-13-3-4-14-26/h1-2,5-11,16H,3-4,12-15H2
定義日:2023-09-19
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:5-{2-[3-oxo-3-(pyrrolidin-1-yl)propoxy]phenoxy}naphthalene-2-carbonitrile
VWK
VWK
表記:3-{2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}-N,N-dimethylpropanamide
組成式:C22 H20 N2 O3
SMILES:CN(C)C(=O)CCOc1ccccc1Oc1cccc2cc(C#N)ccc21
InChi:InChI=1S/C22H20N2O3/c1-24(2)22(25)12-13-26-20-7-3-4-8-21(20)27-19-9-5-6-17-14-16(15-23)10-11-18(17)19/h3-11,14H,12-13H2,1-2H3
定義日:2023-09-19
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:3-{2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}-N,N-dimethylpropanamide
VWU
VWU
表記:2-chloro-N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}acetamide
組成式:C17 H13 Cl3 N2 O2
SMILES:Clc1ccc(cc1Oc1cc(C#N)cc(Cl)c1)CCNC(=O)CCl
InChi:InChI=1S/C17H13Cl3N2O2/c18-9-17(23)22-4-3-11-1-2-15(20)16(7-11)24-14-6-12(10-21)5-13(19)8-14/h1-2,5-8H,3-4,9H2,(H,22,23)
定義日:2023-09-19
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-chloro-N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}acetamide
VY0
VY0
表記:macrocyclic inhibitor
組成式:C17 H19 N7 O
SMILES:O=C1NCCCCCNc2nc(Nc3cc1[nH]n3)c4ccccc4n2
InChi:InChI=1S/C17H19N7O/c25-16-13-10-14(24-23-13)21-15-11-6-2-3-7-12(11)20-17(22-15)19-9-5-1-4-8-18-16/h2-3,6-7,10H,1,4-5,8-9H2,(H,18,25)(H3,19,20,21,22,23,24)
定義日:2023-09-20
最終更新日:2023-11-03
公開日:2023-11-08
VYA
VYA
表記:2-[(4~{Z})-2-[(1~{S})-1-azanyl-3-methyl-butyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
組成式:C17 H21 N3 O4
SMILES:CC(C)C[CH](N)C1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O
InChi:InChI=1S/C17H21N3O4/c1-10(2)7-13(18)16-19-14(17(24)20(16)9-15(22)23)8-11-3-5-12(21)6-4-11/h3-6,8,10,13,21H,7,9,18H2,1-2H3,(H,22,23)/b14-8-/t13-/m0/s1
別名:PEPTIDE DERIVED CHROMOPHORE
定義日:2017-08-09
最終更新日:2023-11-03
公開日:2017-12-06
識別子（ID）:2-[(4~{Z})-2-[(1~{S})-1-azanyl-3-methyl-butyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
VYH
VYH
表記:8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one
組成式:C30 H36 Cl N7 O2
SMILES:Cc1cccc(n1)c2ccc(c(Cl)c2)C3=Cc4cnc(NCCCN5CCOCC5)nc4N(CCCCN)C3=O
InChi:InChI=1S/C30H36ClN7O2/c1-21-6-4-7-27(35-21)22-8-9-24(26(31)19-22)25-18-23-20-34-30(33-11-5-12-37-14-16-40-17-15-37)36-28(23)38(29(25)39)13-3-2-10-32/h4,6-9,18-20H,2-3,5,10-17,32H2,1H3,(H,33,34,36)
定義日:2023-09-20
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one
VYN
VYN
表記:8-(4-azanylbutyl)-2-[1,3-bis(oxidanyl)propan-2-ylamino]-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one
組成式:C26 H29 Cl N6 O3
SMILES:Cc1cccc(n1)c2ccc(c(Cl)c2)C3=Cc4cnc(NC(CO)CO)nc4N(CCCCN)C3=O
InChi:InChI=1S/C26H29ClN6O3/c1-16-5-4-6-23(30-16)17-7-8-20(22(27)12-17)21-11-18-13-29-26(31-19(14-34)15-35)32-24(18)33(25(21)36)10-3-2-9-28/h4-8,11-13,19,34-35H,2-3,9-10,14-15,28H2,1H3,(H,29,31,32)
定義日:2023-09-20
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:8-(4-azanylbutyl)-2-[1,3-bis(oxidanyl)propan-2-ylamino]-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one
VZ2
VZ2
表記:8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-one
組成式:C30 H34 Cl N7 O2
SMILES:Cc1cccc(n1)c2ccc(c(Cl)c2)C3=Cc4cnc(NCCCN5CCCC5=O)nc4N(CCCCN)C3=O
InChi:InChI=1S/C30H34ClN7O2/c1-20-7-4-8-26(35-20)21-10-11-23(25(31)18-21)24-17-22-19-34-30(33-13-6-15-37-14-5-9-27(37)39)36-28(22)38(29(24)40)16-3-2-12-32/h4,7-8,10-11,17-19H,2-3,5-6,9,12-16,32H2,1H3,(H,33,34,36)
定義日:2023-09-20
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-one
EDN
EDN
表記:ETHANE-1,2-DIAMINE
組成式:C2 H8 N2
SMILES:NCCN
InChi:InChI=1S/C2H8N2/c3-1-2-4/h1-4H2
別名:ETHYLENEDIAMINE
定義日:2010-11-15
最終更新日:2023-11-03
識別子（ID）:ethane-1,2-diamine
EE0
EE0
表記:(2~{R})-2-azanylpentanoic acid
組成式:C5 H11 N O2
SMILES:CCC[CH](N)C(O)=O
InChi:InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1
定義日:2019-12-13
最終更新日:2023-11-03
公開日:2020-10-28
識別子（ID）:(2~{R})-2-azanylpentanoic acid
EE3
EE3
表記:(2~{S})-2-azanyl-6-(1,3-oxazol-5-ylcarbonylamino)hexanoic acid
組成式:C10 H15 N3 O4
SMILES:N[CH](CCCCNC(=O)c1ocnc1)C(O)=O
InChi:InChI=1S/C10H15N3O4/c11-7(10(15)16)3-1-2-4-13-9(14)8-5-12-6-17-8/h5-7H,1-4,11H2,(H,13,14)(H,15,16)/t7-/m0/s1
定義日:2019-12-13
最終更新日:2023-11-03
公開日:2020-10-28
識別子（ID）:(2~{S})-2-azanyl-6-(1,3-oxazol-5-ylcarbonylamino)hexanoic acid
RVJ
RVJ
表記:3-triazan-1-yl-L-alanine
組成式:C3 H10 N4 O2
SMILES:NC(CNNN)C(=O)O
InChi:InChI=1S/C3H10N4O2/c4-2(3(8)9)1-6-7-5/h2,6-7H,1,4-5H2,(H,8,9)/t2-/m0/s1
定義日:2020-02-26
最終更新日:2023-11-03
公開日:2020-07-01
識別子（ID）:3-triazan-1-yl-L-alanine
RVL
RVL
表記:(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[1-(methylcarbamoyl)cyclopropyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
組成式:C24 H21 Cl N4 O3
SMILES:CNC(=O)C1(CC1)N1CC(c2cc(Cl)ccc2C1=O)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C24H21ClN4O3/c1-26-23(32)24(8-9-24)29-13-19(18-10-15(25)6-7-17(18)22(29)31)21(30)28-20-12-27-11-14-4-2-3-5-16(14)20/h2-7,10-12,19H,8-9,13H2,1H3,(H,26,32)(H,28,30)/t19-/m1/s1
定義日:2023-08-22
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[1-(methylcarbamoyl)cyclopropyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
RVR
RVR
表記:(4S)-6-chloro-1,1-dioxo-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide
組成式:C18 H18 Cl N3 O3 S
SMILES:Clc1ccc2c(c1)C(CNS2(=O)=O)C(=O)Nc1cncc2CCCCc21
InChi:InChI=1S/C18H18ClN3O3S/c19-12-5-6-17-14(7-12)15(9-21-26(17,24)25)18(23)22-16-10-20-8-11-3-1-2-4-13(11)16/h5-8,10,15,21H,1-4,9H2,(H,22,23)/t15-/m1/s1
定義日:2023-08-22
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4S)-6-chloro-1,1-dioxo-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide
RW0
RW0
表記:(3R,4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-3-methyl-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
組成式:C24 H23 Cl N4 O5 S
SMILES:CS(=O)(=O)c1ccc2c(c1)cncc2NC(=O)C1c2cc(Cl)ccc2C(=O)N(CC(=O)NC)C1C
InChi:InChI=1S/C24H23ClN4O5S/c1-13-22(19-9-15(25)4-6-18(19)24(32)29(13)12-21(30)26-2)23(31)28-20-11-27-10-14-8-16(35(3,33)34)5-7-17(14)20/h4-11,13,22H,12H2,1-3H3,(H,26,30)(H,28,31)/t13-,22-/m1/s1
定義日:2023-08-22
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(3R,4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-3-methyl-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

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