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UTP
UTP
Name:URIDINE 5'-TRIPHOSPHATE
Formula:C9 H15 N2 O15 P3
SMILES:O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O
InChi:InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
Definition date:2002-03-27
Last modified:2011-06-04
Identifier:uridine 5'-(tetrahydrogen triphosphate)
ZZG
ZZG
Name:4-[(5,6-DIMETHYL-2,2'-BIPYRIDIN-3-YL)OXY]-N-(3,4,5-TRIMETHOXYPHENYL)PYRIDIN-2-AMINE
Formula:C26 H26 N4 O4
SMILES:n1ccccc1c4nc(c(cc4Oc3ccnc(Nc2cc(OC)c(OC)c(OC)c2)c3)C)C
InChi:InChI=1S/C26H26N4O4/c1-16-12-21(25(29-17(16)2)20-8-6-7-10-27-20)34-19-9-11-28-24(15-19)30-18-13-22(31-3)26(33-5)23(14-18)32-4/h6-15H,1-5H3,(H,28,30)
Definition date:2009-07-28
Last modified:2011-06-04
Identifier:4-[(5,6-dimethyl-2,2'-bipyridin-3-yl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
YVN
YVN
Name:N-({(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-L-valyl-L-aspartamide
Formula:C21 H30 N5 O9 P
SMILES:O=C(N)CC(C(=O)N)NC(=O)C(NC(=O)C2C(C(=O)NC)C2c1ccc(OP(=O)(O)O)cc1)C(C)C
InChi:InChI=1S/C21H30N5O9P/c1-9(2)17(21(31)25-12(18(23)28)8-13(22)27)26-20(30)16-14(15(16)19(29)24-3)10-4-6-11(7-5-10)35-36(32,33)34/h4-7,9,12,14-17H,8H2,1-3H3,(H2,22,27)(H2,23,28)(H,24,29)(H,25,31)(H,26,30)(H2,32,33,34)/t12-,14-,15+,16+,17-/m0/s1
Definition date:2006-08-01
Last modified:2011-06-04
Identifier:N-({(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-L-valyl-L-aspartamide
ZZH
ZZH
Name:(2S)-2-(4-benzylphenoxy)-3-phenylpropanoic acid
Formula:C22 H20 O3
SMILES:O=C(O)C(Oc1ccc(cc1)Cc2ccccc2)Cc3ccccc3
InChi:InChI=1S/C22H20O3/c23-22(24)21(16-18-9-5-2-6-10-18)25-20-13-11-19(12-14-20)15-17-7-3-1-4-8-17/h1-14,21H,15-16H2,(H,23,24)/t21-/m0/s1
Definition date:2009-06-04
Last modified:2011-06-04
Identifier:(2S)-2-(4-benzylphenoxy)-3-phenylpropanoic acid
DDX
DDX
Name:2',3'-DEHYDRO-2',3'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATE
Formula:C5 H9 O6 P
SMILES:O=P(OCC1OC(O)C=C1)(O)O
InChi:InChI=1S/C5H9O6P/c6-5-2-1-4(11-5)3-10-12(7,8)9/h1-2,4-6H,3H2,(H2,7,8,9)/t4-,5-/m0/s1
Definition date:2002-08-22
Last modified:2011-06-04
Identifier:[(2S,5S)-5-hydroxy-2,5-dihydrofuran-2-yl]methyl dihydrogen phosphate
ZZI
ZZI
Name:(2R,3R)-2,3,4-TRIHYDROXY-N,N-DIPROPYLBUTANAMIDE
Formula:C10 H21 N O4
SMILES:O=C(N(CCC)CCC)C(O)C(O)CO
InChi:InChI=1S/C10H21NO4/c1-3-5-11(6-4-2)10(15)9(14)8(13)7-12/h8-9,12-14H,3-7H2,1-2H3/t8-,9-/m1/s1
Definition date:2009-08-03
Last modified:2011-06-04
Identifier:(2R,3R)-2,3,4-trihydroxy-N,N-dipropylbutanamide
YVQ
YVQ
Name:3-(1H-INDOL-3-YL)-6-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE
Formula:C17 H12 N6
SMILES:n1ncc(c1)c4ncc5ncc(c3c2ccccc2nc3)n5c4
InChi:InChI=1S/C17H12N6/c1-2-4-14-12(3-1)13(7-18-14)16-8-20-17-9-19-15(10-23(16)17)11-5-21-22-6-11/h1-10,18H,(H,21,22)
Definition date:2010-05-19
Last modified:2011-06-04
Identifier:3-(1H-indol-3-yl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazine
ZZK
ZZK
Name:4-[2-AMINO-5-(1,3-BENZODIOXOL-4-YL)PYRIDIN-3-YL]BENZAMIDE
Formula:C19 H15 N3 O3
SMILES:O=C(N)c1ccc(cc1)c4cc(c2cccc3OCOc23)cnc4N
InChi:InChI=1S/C19H15N3O3/c20-18-15(11-4-6-12(7-5-11)19(21)23)8-13(9-22-18)14-2-1-3-16-17(14)25-10-24-16/h1-9H,10H2,(H2,20,22)(H2,21,23)
Definition date:2009-09-15
Last modified:2011-06-04
Identifier:4-[2-amino-5-(1,3-benzodioxol-4-yl)pyridin-3-yl]benzamide
ZZL
ZZL
Name:4-{[9-CHLORO-7-(2,6-DIFLUOROPHENYL)-5H-PYRIMIDO[5,4-D][2]BENZAZEPIN-2-YL]AMINO}BENZOIC ACID
Formula:C25 H15 Cl F2 N4 O2
SMILES:Fc5cccc(F)c5C2=NCc1cnc(nc1c3ccc(Cl)cc23)Nc4ccc(C(=O)O)cc4
InChi:InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)
Definition date:2009-09-22
Last modified:2011-06-04
Identifier:4-{[9-chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino}benzoic acid
DE1
DE1
Name:DECAN-1-OL
Formula:C10 H22 O
SMILES:OCCCCCCCCCC
InChi:InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3
Definition date:2005-05-17
Last modified:2011-06-04
Identifier:decan-1-ol
ZZM
ZZM
Name:1-(1-METHYLETHYL)-3-(PYRIDIN-3-YLETHYNYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE
Formula:C15 H14 N6
SMILES:n1c(c3c(nc1)n(nc3C#Cc2cccnc2)C(C)C)N
InChi:InChI=1S/C15H14N6/c1-10(2)21-15-13(14(16)18-9-19-15)12(20-21)6-5-11-4-3-7-17-8-11/h3-4,7-10H,1-2H3,(H2,16,18,19)
Definition date:2009-11-09
Last modified:2011-06-04
Identifier:1-(1-methylethyl)-3-(pyridin-3-ylethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
ZZN
ZZN
Name:2-{[4-amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one
Formula:C28 H22 F N7 O2
SMILES:Fc6cc(c2nn(c1ncnc(c12)N)CC4=Nc5cccc(c5C(=O)N4c3ccccc3C)C)cc(O)c6
InChi:InChI=1S/C28H22FN7O2/c1-15-6-3-4-9-21(15)36-22(33-20-8-5-7-16(2)23(20)28(36)38)13-35-27-24(26(30)31-14-32-27)25(34-35)17-10-18(29)12-19(37)11-17/h3-12,14,37H,13H2,1-2H3,(H2,30,31,32)
Definition date:2009-11-09
Last modified:2011-06-04
Identifier:2-{[4-amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one
DE3
DE3
Name:N,N-diethyl-3-methylbenzamide
Formula:C12 H17 N O
SMILES:O=C(N(CC)CC)c1cccc(c1)C
InChi:InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3
Definition date:2010-06-07
Last modified:2011-06-04
Identifier:N,N-diethyl-3-methylbenzamide
ZZO
ZZO
Name:2-{[4-amino-3-(3-fluoro-4-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one
Formula:C28 H22 F N7 O2
SMILES:Fc6c(O)ccc(c2nn(c1ncnc(c12)N)CC4=Nc5cccc(c5C(=O)N4c3ccccc3C)C)c6
InChi:InChI=1S/C28H22FN7O2/c1-15-6-3-4-9-20(15)36-22(33-19-8-5-7-16(2)23(19)28(36)38)13-35-27-24(26(30)31-14-32-27)25(34-35)17-10-11-21(37)18(29)12-17/h3-12,14,37H,13H2,1-2H3,(H2,30,31,32)
Definition date:2009-11-09
Last modified:2011-06-04
Identifier:2-{[4-amino-3-(3-fluoro-4-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one
ZZP
ZZP
Name:N-(3-{[(1Z)-3,5-DIMETHOXYCYCLOHEXA-2,4-DIEN-1-YLIDENE]AMINO}QUINOXALIN-2-YL)-4-FLUOROBENZENESULFONAMIDE
Formula:C22 H19 F N4 O4 S
SMILES:Fc1ccc(cc1)S(=O)(=O)Nc3nc4ccccc4nc3N=C2/C=C(OC)C=C(OC)C2
InChi:InChI=1S/C22H19FN4O4S/c1-30-16-11-15(12-17(13-16)31-2)24-21-22(26-20-6-4-3-5-19(20)25-21)27-32(28,29)18-9-7-14(23)8-10-18/h3-11,13H,12H2,1-2H3,(H,26,27)/b24-15+
Definition date:2009-11-09
Last modified:2011-06-04
Identifier:N-(3-{[(1Z)-3,5-dimethoxycyclohexa-2,4-dien-1-ylidene]amino}quinoxalin-2-yl)-4-fluorobenzenesulfonamide
ZZQ
ZZQ
Name:2-{[3-(2-METHOXYPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDROQUINAZOLIN-2-YL]SULFANYL}-N-QUINOXALIN-6-YLACETAMIDE
Formula:C25 H23 N5 O3 S
SMILES:O=C3C5=C(N=C(SCC(=O)Nc2cc1nccnc1cc2)N3c4ccccc4OC)CCCC5
InChi:InChI=1S/C25H23N5O3S/c1-33-22-9-5-4-8-21(22)30-24(32)17-6-2-3-7-18(17)29-25(30)34-15-23(31)28-16-10-11-19-20(14-16)27-13-12-26-19/h4-5,8-14H,2-3,6-7,15H2,1H3,(H,28,31)
Definition date:2009-11-09
Last modified:2011-06-04
Identifier:2-{[3-(2-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl]sulfanyl}-N-quinoxalin-6-ylacetamide
ZZR
ZZR
Name:3,6-diamino-1,5-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazol-4-ium
Formula:C3 H6 N7
SMILES:n1c(N)n[n+]2c(nnc12)N
InChi:InChI=1S/C3H5N7/c4-1-6-3-8-7-2(5)10(3)9-1/h(H5,4,5,6,7,8,9)/p+1
Definition date:2009-11-10
Last modified:2011-06-04
Identifier:3,6-diamino-1,5-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazol-4-ium
ZZS
ZZS
Name:1,3,5-TRIAZINE-2,4-DIAMINE
Formula:C3 H5 N5
SMILES:n1c(nc(nc1)N)N
InChi:InChI=1S/C3H5N5/c4-2-6-1-7-3(5)8-2/h1H,(H4,4,5,6,7,8)
Definition date:2009-11-12
Last modified:2011-06-04
Identifier:1,3,5-triazine-2,4-diamine
ZZT
ZZT
Name:2-METHOXY-5-METHYLANILINE
Formula:C8 H11 N O
SMILES:O(c1ccc(cc1N)C)C
InChi:InChI=1S/C8H11NO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,9H2,1-2H3
Definition date:2009-11-20
Last modified:2011-06-04
Identifier:2-methoxy-5-methylaniline
DEA
DEA
Name:D-ERITADENINE
Formula:C9 H11 N5 O4
SMILES:O=C(O)C(O)C(O)Cn1c2ncnc(c2nc1)N
InChi:InChI=1S/C9H11N5O4/c10-7-5-8(12-2-11-7)14(3-13-5)1-4(15)6(16)9(17)18/h2-4,6,15-16H,1H2,(H,17,18)(H2,10,11,12)/t4-,6-/m1/s1
Definition date:1999-10-12
Last modified:2011-06-04
Identifier:(2R,3R)-4-(6-amino-9H-purin-9-yl)-2,3-dihydroxybutanoic acid
DEB
DEB
Name:6-DEOXYERYTHRONOLIDE B
Formula:C21 H38 O6
SMILES:O=C1OC(C(C(O)C(C(=O)C(CC(C)C(O)C(C)C(O)C1C)C)C)C)CC
InChi:InChI=1S/C21H38O6/c1-8-16-12(4)19(24)13(5)17(22)10(2)9-11(3)18(23)14(6)20(25)15(7)21(26)27-16/h10-16,18-20,23-25H,8-9H2,1-7H3/t10-,11+,12+,13+,14-,15-,16-,18+,19+,20+/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(3R,4S,5R,6S,7S,9R,11R,12S,13R,14R)-14-ethyl-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione
ZZV
ZZV
Name:N-[7-(4-fluorobenzyl)-9-hydroxy-8-oxo-7,8-dihydro-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-methylmethanesulfonamide
Formula:C20 H18 F N3 O4 S
SMILES:O=S(=O)(N(c2c1cccnc1c(O)c3c2CN(C3=O)Cc4ccc(F)cc4)C)C
InChi:InChI=1S/C20H18FN3O4S/c1-23(29(2,27)28)18-14-4-3-9-22-17(14)19(25)16-15(18)11-24(20(16)26)10-12-5-7-13(21)8-6-12/h3-9,25H,10-11H2,1-2H3
Definition date:2010-10-04
Last modified:2011-06-04
Identifier:N-[7-(4-fluorobenzyl)-9-hydroxy-8-oxo-7,8-dihydro-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-methylmethanesulfonamide
ZZW
ZZW
Name:9-(4-fluorobenzyl)-N-hydroxy-9H-beta-carboline-3-carboxamide
Formula:C19 H14 F N3 O2
SMILES:Fc1ccc(cc1)Cn3c4c(c2cc(ncc23)C(=O)NO)cccc4
InChi:InChI=1S/C19H14FN3O2/c20-13-7-5-12(6-8-13)11-23-17-4-2-1-3-14(17)15-9-16(19(24)22-25)21-10-18(15)23/h1-10,25H,11H2,(H,22,24)
Definition date:2010-10-04
Last modified:2011-06-04
Identifier:9-(4-fluorobenzyl)-N-hydroxy-9H-beta-carboline-3-carboxamide
DED
DED
Name:2-DIMETHYLAMINO-ETHYL-DIPHOSPHATE
Formula:C4 H13 N O7 P2
SMILES:O=P(OP(=O)(OCCN(C)C)O)(O)O
InChi:InChI=1S/C4H13NO7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h3-4H2,1-2H3,(H,9,10)(H2,6,7,8)
Definition date:2002-12-30
Last modified:2011-06-04
Identifier:2-(dimethylamino)ethyl trihydrogen diphosphate
ZZX
ZZX
Name:(6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-N,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide
Formula:C21 H21 Cl F N5 O4
SMILES:Fc1ccc(cc1Cl)CN4N=C(c3n2c(C(=O)N(CC2C)CC)c(O)c3C4=O)C(=O)NC
InChi:InChI=1S/C21H21ClFN5O4/c1-4-26-8-10(2)28-16-14(18(29)17(28)21(26)32)20(31)27(25-15(16)19(30)24-3)9-11-5-6-13(23)12(22)7-11/h5-7,10,29H,4,8-9H2,1-3H3,(H,24,30)/t10-/m0/s1
Definition date:2010-10-04
Last modified:2011-06-04
Identifier:(6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-N,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide

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數據於2025-04-16公開中

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