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S6K
S6K
Name:1-{[(3'S,4'R)-6-chloro-1'-(isoquinolin-4-yl)-4'-methyl-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile
Formula:C27 H25 Cl N4 O3 S
SMILES:N#CC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C2(C1)C(=O)N(CC2C)c1cncc2ccccc21
InChi:InChI=1S/C27H25ClN4O3S/c1-18-13-32(24-12-30-11-19-4-2-3-5-22(19)24)25(33)27(18)16-31(14-20-6-7-21(28)10-23(20)27)36(34,35)17-26(15-29)8-9-26/h2-7,10-12,18H,8-9,13-14,16-17H2,1H3/t18-,27-/m0/s1
Definition date:2023-08-22
Last modified:2023-11-03
Release date:2023-11-08
Identifier:1-{[(3'S,4'R)-6-chloro-1'-(isoquinolin-4-yl)-4'-methyl-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile
VWU
VWU
Name:2-chloro-N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}acetamide
Formula: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)
Definition date:2023-09-19
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-chloro-N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}acetamide
YTF
YTF
Name:ethyl (4~{S})-4,7-bis(azanyl)-7-oxidanylidene-heptanoate
Formula:C9 H18 N2 O3
SMILES:CCOC(=O)CC[CH](N)CCC(N)=O
InChi:InChI=1S/C9H18N2O3/c1-2-14-9(13)6-4-7(10)3-5-8(11)12/h7H,2-6,10H2,1H3,(H2,11,12)/t7-/m0/s1
Definition date:2023-02-21
Last modified:2023-11-03
Release date:2023-03-01
Identifier:ethyl (4~{S})-4,7-bis(azanyl)-7-oxidanylidene-heptanoate
S7C
S7C
Name:1-{[(3'S,4'R)-6-chloro-4'-ethyl-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile
Formula:C28 H27 Cl N4 O3 S
SMILES:N#CC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C2(C1)C(=O)N(CC2CC)c1cncc2ccccc21
InChi:InChI=1S/C28H27ClN4O3S/c1-2-21-15-33(25-13-31-12-19-5-3-4-6-23(19)25)26(34)28(21)17-32(14-20-7-8-22(29)11-24(20)28)37(35,36)18-27(16-30)9-10-27/h3-8,11-13,21H,2,9-10,14-15,17-18H2,1H3/t21-,28-/m0/s1
Definition date:2023-08-22
Last modified:2023-11-03
Release date:2023-11-08
Identifier:1-{[(3'S,4'R)-6-chloro-4'-ethyl-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile
ZYJ
ZYJ
Name:(4R)-4-({[(1E)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)-L-proline
Formula:C14 H18 N2 O5
SMILES:O=C(O)C2NCC(ON=Cc1ccc(OC)c(OC)c1)C2
InChi:InChI=1S/C14H18N2O5/c1-19-12-4-3-9(5-13(12)20-2)7-16-21-10-6-11(14(17)18)15-8-10/h3-5,7,10-11,15H,6,8H2,1-2H3,(H,17,18)/b16-7+/t10-,11+/m1/s1
Definition date:2010-10-22
Last modified:2023-11-03
Identifier:(4R)-4-({[(E)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)-L-proline
ZYK
ZYK
Name:(4R)-4-({[(3,4-dimethoxyphenyl)carbonyl]amino}oxy)-L-proline
Formula:C14 H18 N2 O6
SMILES:O=C(NOC1CC(C(=O)O)NC1)c2ccc(OC)c(OC)c2
InChi:InChI=1S/C14H18N2O6/c1-20-11-4-3-8(5-12(11)21-2)13(17)16-22-9-6-10(14(18)19)15-7-9/h3-5,9-10,15H,6-7H2,1-2H3,(H,16,17)(H,18,19)/t9-,10+/m1/s1
Synonyms:3,4-dimethoxybenzamidoxy proline
Definition date:2010-10-22
Last modified:2023-11-03
Identifier:(4R)-4-{[(3,4-dimethoxybenzoyl)amino]oxy}-L-proline
XDD
XDD
Name:N-[(1S,2S)-2-aminocyclopentyl]-N-[(6-amino-9H-purin-9-yl)acetyl]glycine
Formula:C14 H19 N7 O3
SMILES:C(n1cnc2c1ncnc2N)C(=O)N(CC(O)=O)C3CCCC3N
InChi:InChI=1S/C14H19N7O3/c15-8-2-1-3-9(8)21(5-11(23)24)10(22)4-20-7-19-12-13(16)17-6-18-14(12)20/h6-9H,1-5,15H2,(H,23,24)(H2,16,17,18)/t8-,9-/m0/s1
Definition date:2020-12-11
Last modified:2023-11-03
Release date:2020-12-23
Identifier:N-[(1S,2S)-2-aminocyclopentyl]-N-[(6-amino-9H-purin-9-yl)acetyl]glycine
XDJ
XDJ
Name:N-[(1S,2S)-2-aminocyclopentyl]-N-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)acetyl]glycine
Formula:C14 H19 N7 O4
SMILES:C(O)(CN(C1C(N)CCC1)C(Cn2cnc3c2N=C(N)NC3=O)=O)=O
InChi:InChI=1S/C14H19N7O4/c15-7-2-1-3-8(7)21(5-10(23)24)9(22)4-20-6-17-11-12(20)18-14(16)19-13(11)25/h6-8H,1-5,15H2,(H,23,24)(H3,16,18,19,25)/t7-,8-/m0/s1
Definition date:2020-12-11
Last modified:2023-11-03
Release date:2020-12-23
Identifier:N-[(1S,2S)-2-aminocyclopentyl]-N-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)acetyl]glycine
WFP
WFP
Name:3,5-difluoro-L-phenylalanine
Formula:C9 H9 F2 N O2
SMILES:N[CH](Cc1cc(F)cc(F)c1)C(O)=O
InChi:InChI=1S/C9H9F2NO2/c10-6-1-5(2-7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3,12H2,(H,13,14)/t8-/m0/s1
Definition date:2009-12-13
Last modified:2023-11-03
Identifier:(2S)-2-azanyl-3-(3,5-difluorophenyl)propanoic acid
VY0
VY0
Name:macrocyclic inhibitor
Formula: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)
Definition date:2023-09-20
Last modified:2023-11-03
Release date:2023-11-08
HIP
HIP
Name:ND1-PHOSPHONOHISTIDINE
Formula:C6 H11 N3 O5 P
SMILES:O=P(O)(O)n1c(c[nH+]c1)CC(C(=O)O)N
InChi:InChI=1S/C6H10N3O5P/c7-5(6(10)11)1-4-2-8-3-9(4)15(12,13)14/h2-3,5H,1,7H2,(H,10,11)(H2,12,13,14)/p+1/t5-/m0/s1
Definition date:1999-07-08
Last modified:2023-11-03
Identifier:3-(1-phosphono-1H-imidazol-3-ium-5-yl)-L-alanine
HIQ
HIQ
Name:1-[1,2-DIHYDROXY-1-(HYDROXYMETHYL)ETHYL]-L-HISTIDINE
Formula:C9 H15 N3 O5
SMILES:O=C(O)C(N)Cc1ncn(c1)C(O)(CO)CO
InChi:InChI=1S/C9H15N3O5/c10-7(8(15)16)1-6-2-12(5-11-6)9(17,3-13)4-14/h2,5,7,13-14,17H,1,3-4,10H2,(H,15,16)/t7-/m0/s1
Definition date:2006-05-27
Last modified:2023-11-03
Identifier:1-[1,2-dihydroxy-1-(hydroxymethyl)ethyl]-L-histidine
S7U
S7U
Name:1-{[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-piperidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile
Formula:C27 H25 Cl N4 O3 S
SMILES:N#CC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C2(CCCN(C2=O)c2cncc3ccccc32)C1
InChi:InChI=1S/C27H25ClN4O3S/c28-21-7-6-20-15-31(36(34,35)18-26(16-29)9-10-26)17-27(23(20)12-21)8-3-11-32(25(27)33)24-14-30-13-19-4-1-2-5-22(19)24/h1-2,4-7,12-14H,3,8-11,15,17-18H2/t27-/m1/s1
Definition date:2023-08-22
Last modified:2023-11-03
Release date:2023-11-08
Identifier:1-{[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-piperidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile
ZHW
ZHW
Name:(1R)-1-amino-2,3-dihydro-1H-inden-4-yl sulfurofluoridate
Formula:C9 H10 F N O3 S
SMILES:FS(=O)(=O)Oc1cccc2c1CCC2N
InChi:InChI=1S/C9H10FNO3S/c10-15(12,13)14-9-3-1-2-6-7(9)4-5-8(6)11/h1-3,8H,4-5,11H2/t8-/m1/s1
Definition date:2023-03-10
Last modified:2023-11-03
Release date:2023-07-05
Identifier:(1R)-1-amino-2,3-dihydro-1H-inden-4-yl sulfurofluoridate
XDY
XDY
Name:N-[(1S,2S)-2-aminocyclopentyl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine
Formula:C14 H20 N4 O5
SMILES:C(CN(C1C(N)CCC1)C(=O)CN2C(NC(=O)C(C)=C2)=O)(O)=O
InChi:InChI=1S/C14H20N4O5/c1-8-5-17(14(23)16-13(8)22)6-11(19)18(7-12(20)21)10-4-2-3-9(10)15/h5,9-10H,2-4,6-7,15H2,1H3,(H,20,21)(H,16,22,23)/t9-,10-/m0/s1
Definition date:2020-12-11
Last modified:2023-11-03
Release date:2020-12-23
Identifier:N-[(1S,2S)-2-aminocyclopentyl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine
WG0
WG0
Name:[(6S,10P)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetic acid
Formula:C19 H17 Cl N4 O2 S
SMILES:O=C(O)CC1N=C(c2ccc(Cl)cc2)c2c(C)c(C)sc2n2c(C)nnc21
InChi:InChI=1S/C19H17ClN4O2S/c1-9-10(2)27-19-16(9)17(12-4-6-13(20)7-5-12)21-14(8-15(25)26)18-23-22-11(3)24(18)19/h4-7,14H,8H2,1-3H3,(H,25,26)/t14-/m0/s1
Definition date:2022-09-07
Last modified:2023-11-03
Release date:2023-10-04
Identifier:[(6S,10P)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetic acid
XW1
XW1
Name:(2S)-2-amino-7-ethoxy-7-oxoheptanoic acid
Formula:C9 H17 N O4
SMILES:O=C(OCC)CCCCC(C(=O)O)N
InChi:InChI=1S/C9H17NO4/c1-2-14-8(11)6-4-3-5-7(10)9(12)13/h7H,2-6,10H2,1H3,(H,12,13)/t7-/m0/s1
Definition date:2011-06-14
Last modified:2023-11-03
Identifier:(2S)-2-amino-7-ethoxy-7-oxoheptanoic acid
VYA
VYA
Name:2-[(4~{Z})-2-[(1~{S})-1-azanyl-3-methyl-butyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
Formula: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
Synonyms:PEPTIDE DERIVED CHROMOPHORE
Definition date:2017-08-09
Last modified:2023-11-03
Release date:2017-12-06
Identifier:2-[(4~{Z})-2-[(1~{S})-1-azanyl-3-methyl-butyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
VYH
VYH
Name:8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one
Formula: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)
Definition date:2023-09-20
Last modified:2023-11-03
Release date:2023-11-08
Identifier: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
Name: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
Formula: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)
Definition date:2023-09-20
Last modified:2023-11-03
Release date:2023-11-08
Identifier: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
XX1
XX1
Name:N~6~-7H-PURIN-6-YL-L-LYSINE
Formula:C11 H16 N6 O2
SMILES:O=C(O)C(N)CCCCNc1ncnc2ncnc12
InChi:InChI=1S/C11H16N6O2/c12-7(11(18)19)3-1-2-4-13-9-8-10(15-5-14-8)17-6-16-9/h5-7H,1-4,12H2,(H,18,19)(H2,13,14,15,16,17)/t7-/m0/s1
Definition date:2007-04-26
Last modified:2023-11-03
Identifier:N~6~-7H-purin-6-yl-L-lysine
ZIQ
ZIQ
Name:alpha-methyl-L-tryptophan
Formula:C12 H14 N2 O2
SMILES:NC(C(O)=O)(Cc1cnc2c1cccc2)C
InChi:InChI=1S/C12H14N2O2/c1-12(13,11(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,14H,6,13H2,1H3,(H,15,16)/t12-/m0/s1
Definition date:2018-06-13
Last modified:2023-11-03
Release date:2020-01-01
Identifier:alpha-methyl-L-tryptophan
XXA
XXA
Name:2,4,5-trideoxy-2-(methylamino)-4-[(2E)-penta-2,4-dien-1-yl]-L-xylonic acid
Formula:C11 H19 N O3
SMILES:O=C(O)C(NC)C(O)C(C/C=C/C=C)C
InChi:InChI=1S/C11H19NO3/c1-4-5-6-7-8(2)10(13)9(12-3)11(14)15/h4-6,8-10,12-13H,1,7H2,2-3H3,(H,14,15)/b6-5+/t8-,9+,10-/m1/s1
Definition date:2010-11-19
Last modified:2023-11-03
Identifier:2,4,5-trideoxy-2-(methylamino)-4-[(2E)-penta-2,4-dien-1-yl]-L-xylonic acid
VZ2
VZ2
Name: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
Formula: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)
Definition date:2023-09-20
Last modified:2023-11-03
Release date:2023-11-08
Identifier: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
HJY
HJY
Name:4-iodo-N-methyl-D-phenylalanine
Formula:C10 H12 I N O2
SMILES:CNC(Cc1ccc(I)cc1)C(O)=O
InChi:InChI=1S/C10H12INO2/c1-12-9(10(13)14)6-7-2-4-8(11)5-3-7/h2-5,9,12H,6H2,1H3,(H,13,14)/t9-/m1/s1
Definition date:2018-07-09
Last modified:2023-11-03
Release date:2018-10-17
Identifier:4-iodo-N-methyl-D-phenylalanine

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數據於2024-07-10公開中

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