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HDX
HDX
Name:({3-hydroxy-2-oxo-4-[2-(phosphonooxy)ethyl]pyridin-1(2H)-yl}methyl)phosphonic acid
Formula:C8 H13 N O9 P2
SMILES:O=P(O)(O)OCCC=1C=CN(C(=O)C=1O)CP(=O)(O)O
InChi:InChI=1S/C8H13NO9P2/c10-7-6(2-4-18-20(15,16)17)1-3-9(8(7)11)5-19(12,13)14/h1,3,10H,2,4-5H2,(H2,12,13,14)(H2,15,16,17)
Definition date:2010-08-24
Last modified:2011-06-04
Identifier:({3-hydroxy-2-oxo-4-[2-(phosphonooxy)ethyl]pyridin-1(2H)-yl}methyl)phosphonic acid
HDY
HDY
Name:1-(DIMETHYLAMINO)-3-(4-{{4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-3-YL)PYRIMIDIN-2-YL]AMINO}PHENOXY)PROPAN-2-OL
Formula:C23 H26 N6 O2
SMILES:OC(CN(C)C)COc1ccc(cc1)Nc2nccc(n2)c3c(nc4ccccn34)C
InChi:InChI=1S/C23H26N6O2/c1-16-22(29-13-5-4-6-21(29)25-16)20-11-12-24-23(27-20)26-17-7-9-19(10-8-17)31-15-18(30)14-28(2)3/h4-13,18,30H,14-15H2,1-3H3,(H,24,26,27)/t18-/m0/s1
Definition date:2003-06-24
Last modified:2011-06-04
Identifier:(2S)-1-(dimethylamino)-3-(4-{[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino}phenoxy)propan-2-ol
HE1
HE1
Name:4-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACID
Formula:C10 H13 O4 P S
SMILES:O=P(O)(O)/C=C/CCSc1ccccc1O
InChi:InChI=1S/C10H13O4PS/c11-9-5-1-2-6-10(9)16-8-4-3-7-15(12,13)14/h1-3,5-7,11H,4,8H2,(H2,12,13,14)/b7-3+
Definition date:1999-07-23
Last modified:2011-06-04
Identifier:{(1E)-4-[(2-hydroxyphenyl)sulfanyl]but-1-en-1-yl}phosphonic acid
HEP
HEP
Name:PHENYL[1-(N-SUCCINYLAMINO)PENTYL]PHOSPHONATE
Formula:C15 H22 N O6 P
SMILES:O=P(Oc1ccccc1)(O)C(NC(=O)CCC(=O)O)CCCC
InChi:InChI=1S/C15H22NO6P/c1-2-3-9-14(16-13(17)10-11-15(18)19)23(20,21)22-12-7-5-4-6-8-12/h4-8,14H,2-3,9-11H2,1H3,(H,16,17)(H,18,19)(H,20,21)/t14-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:4-({(1R)-1-[(R)-hydroxy(phenoxy)phosphoryl]pentyl}amino)-4-oxobutanoic acid
HEU
HEU
Name:3-(2-HYDROXYETHYL)-2'-DEOXYURIDINE-5'-MONOPHOSPHATE
Formula:C11 H17 N2 O9 P
SMILES:O=C1N(C(=O)N(C=C1)C2OC(C(O)C2)COP(=O)(O)O)CCO
InChi:InChI=1S/C11H17N2O9P/c14-4-3-12-9(16)1-2-13(11(12)17)10-5-7(15)8(22-10)6-21-23(18,19)20/h1-2,7-8,10,14-15H,3-6H2,(H2,18,19,20)/t7-,8+,10+/m0/s1
Definition date:2002-02-15
Last modified:2011-06-04
Identifier:2'-deoxy-3-(2-hydroxyethyl)uridine 5'-(dihydrogen phosphate)
HF1
HF1
Name:4-(2-HYDROXY-4-FLUOROPHENYLTHIO)-BUTYLPHOSPHONIC ACID
Formula:C10 H12 F O4 P S
SMILES:Fc1cc(SCC/C=C/P(=O)(O)O)c(O)cc1
InChi:InChI=1S/C10H12FO4PS/c11-8-3-4-9(12)10(7-8)17-6-2-1-5-16(13,14)15/h1,3-5,7,12H,2,6H2,(H2,13,14,15)/b5-1+
Definition date:1999-08-10
Last modified:2011-06-04
Identifier:{(1E)-4-[(5-fluoro-2-hydroxyphenyl)sulfanyl]but-1-en-1-yl}phosphonic acid
HFP
HFP
Name:ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID
Formula:C15 H33 O4 P
SMILES:O=P(O)(O)C(O)CC(CCCC(C)CCCC(C)C)C
InChi:InChI=1S/C15H33O4P/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)20(17,18)19/h12-16H,5-11H2,1-4H3,(H2,17,18,19)/t13-,14-,15+/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:[(1S,3R,7R)-1-hydroxy-3,7,11-trimethyldodecyl]phosphonic acid
HFZ
HFZ
Name:6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
Formula:C8 H8 F3 N3 O4 S2
SMILES:FC(F)(F)c2c(cc1c(NCNS1(=O)=O)c2)S(=O)(=O)N
InChi:InChI=1S/C8H8F3N3O4S2/c9-8(10,11)4-1-5-7(2-6(4)19(12,15)16)20(17,18)14-3-13-5/h1-2,13-14H,3H2,(H2,12,15,16)
Definition date:2009-08-10
Last modified:2011-06-04
Identifier:6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
HHA
HHA
Name:(2S,3S)-TRANS-2,3-DIHYDRO-3-HYDROXYANTHRANILIC ACID
Formula:C7 H9 N O3
SMILES:O=C(O)C1=CC=CC(O)C1N
InChi:InChI=1S/C7H9NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,5-6,9H,8H2,(H,10,11)/t5-,6-/m0/s1
Definition date:2004-08-17
Last modified:2011-06-04
Identifier:(5S,6S)-6-amino-5-hydroxycyclohexa-1,3-diene-1-carboxylic acid
HHH
HHH
Name:(2S)-hydroxy(4-hydroxyphenyl)ethanoic acid
Formula:C8 H8 O4
SMILES:O=C(O)C(O)c1ccc(O)cc1
InChi:InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)/t7-/m0/s1
Definition date:2007-12-28
Last modified:2011-06-04
Identifier:(2S)-hydroxy(4-hydroxyphenyl)ethanoic acid
HHR
HHR
Name:6-HYDROXYMETHYLPTERIN
Formula:C7 H7 N5 O2
SMILES:O=C1c2nc(cnc2N=C(N1)N)CO
InChi:InChI=1S/C7H7N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h1,13H,2H2,(H3,8,9,11,12,14)
Definition date:2000-07-25
Last modified:2011-06-04
Identifier:2-amino-6-(hydroxymethyl)pteridin-4(3H)-one
HHV
HHV
Name:5-[(pyridin-3-ylmethyl)amino]-1H-pyrazole-4-carboxamide
Formula:C10 H11 N5 O
SMILES:O=C(c2c(NCc1cccnc1)nnc2)N
InChi:InChI=1S/C10H11N5O/c11-9(16)8-6-14-15-10(8)13-5-7-2-1-3-12-4-7/h1-4,6H,5H2,(H2,11,16)(H2,13,14,15)
Definition date:2009-09-17
Last modified:2011-06-04
Identifier:5-[(pyridin-3-ylmethyl)amino]-1H-pyrazole-4-carboxamide
HI0
HI0
Name:(R)-N-(7-(4-((4'-chlorobiphenyl-2-yl)methyl)piperazin-1-yl)quinazolin-4-yl)-4-(4-(dimethylamino)-1-(phenylthio)butan-2-ylamino)-3-nitrobenzenesulfonamide
Formula:C43 H45 Cl N8 O4 S2
SMILES:[O-][N+](=O)c2cc(ccc2NC(CCN(C)C)CSc1ccccc1)S(=O)(=O)Nc7ncnc6cc(N5CCN(Cc4c(c3ccc(Cl)cc3)cccc4)CC5)ccc67
InChi:InChI=1S/C43H45ClN8O4S2/c1-49(2)21-20-34(29-57-36-9-4-3-5-10-36)47-40-19-17-37(27-42(40)52(53)54)58(55,56)48-43-39-18-16-35(26-41(39)45-30-46-43)51-24-22-50(23-25-51)28-32-8-6-7-11-38(32)31-12-14-33(44)15-13-31/h3-19,26-27,30,34,47H,20-25,28-29H2,1-2H3,(H,45,46,48)/t34-/m1/s1
Definition date:2011-02-18
Last modified:2011-06-04
Identifier:N-(7-{4-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-yl}quinazolin-4-yl)-4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzenesulfonamide
HI1
HI1
Name:METHYL [(1S)-1-({2-[(4R)-4-BENZYL-4-HYDROXY-5-{[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]AMINO}-5-OXOPENTYL]-2-(4-BROMOBENZYL)HYDRAZINO}CARBONYL)-2,2-DIMETHYLPROPYL]CARBAMATE
Formula:C36 H45 Br N4 O6
SMILES:Brc1ccc(cc1)CN(NC(=O)C(NC(=O)OC)C(C)(C)C)CCCC(O)(C(=O)NC3c2ccccc2CC3O)Cc4ccccc4
InChi:InChI=1S/C36H45BrN4O6/c1-35(2,3)31(39-34(45)47-4)32(43)40-41(23-25-15-17-27(37)18-16-25)20-10-19-36(46,22-24-11-6-5-7-12-24)33(44)38-30-28-14-9-8-13-26(28)21-29(30)42/h5-9,11-18,29-31,42,46H,10,19-23H2,1-4H3,(H,38,44)(H,39,45)(H,40,43)/t29-,30+,31-,36-/m1/s1
Definition date:2007-04-02
Last modified:2011-06-04
Identifier:methyl [(1S)-1-({2-[(4R)-4-benzyl-4-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxopentyl]-2-(4-bromobenzyl)hydrazino}carbonyl)-2,2-dimethylpropyl]carbamate (non-preferred name)
HIE
HIE
Name:4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]-2-[(cis-4-hydroxycyclohexyl)amino]benzamide
Formula:C23 H27 F3 N4 O3
SMILES:FC(F)(F)c2nn(c1c2C(=O)CC(C1)(C)C)c4ccc(C(=O)N)c(NC3CCC(O)CC3)c4
InChi:InChI=1S/C23H27F3N4O3/c1-22(2)10-17-19(18(32)11-22)20(23(24,25)26)29-30(17)13-5-8-15(21(27)33)16(9-13)28-12-3-6-14(31)7-4-12/h5,8-9,12,14,28,31H,3-4,6-7,10-11H2,1-2H3,(H2,27,33)/t12-,14+
Definition date:2010-09-07
Last modified:2011-06-04
Identifier:4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]-2-[(cis-4-hydroxycyclohexyl)amino]benzamide
HIZ
HIZ
Name:1-{4-[(1S)-1-amino-2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-(3-chloro-4-fluorophenyl)urea
Formula:C19 H18 Cl F N4 O2 S
SMILES:O=C(Nc1nc(cs1)C(N)COCc2ccccc2)Nc3ccc(F)c(Cl)c3
InChi:InChI=1S/C19H18ClFN4O2S/c20-14-8-13(6-7-15(14)21)23-18(26)25-19-24-17(11-28-19)16(22)10-27-9-12-4-2-1-3-5-12/h1-8,11,16H,9-10,22H2,(H2,23,24,25,26)/t16-/m1/s1
Definition date:2009-09-04
Last modified:2011-06-04
Identifier:1-{4-[(1S)-1-amino-2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-(3-chloro-4-fluorophenyl)urea
2DE
2DE
Name:(2E,6E)-7,11-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate
Formula:C14 H26 O7 P2
SMILES:O=P(O)(O)OP(=O)(OC/C=C/CCC=C(/C)CCC=C(/C)C)O
InChi:InChI=1S/C14H26O7P2/c1-13(2)9-8-11-14(3)10-6-4-5-7-12-20-23(18,19)21-22(15,16)17/h5,7,9-10H,4,6,8,11-12H2,1-3H3,(H,18,19)(H2,15,16,17)/b7-5+,14-10+
Definition date:2010-10-29
Last modified:2011-06-04
Identifier:(2E,6E)-7,11-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate
2DF
2DF
Name:N-(2-DEOXY-BETA-D-ERYTHO-PENTOFURANOSYL-5-PHOSPHATE) FORMAMIDE
Formula:C6 H12 N O7 P
SMILES:O=CNC1OC(C(O)C1)COP(=O)(O)O
InChi:InChI=1S/C6H12NO7P/c8-3-7-6-1-4(9)5(14-6)2-13-15(10,11)12/h3-6,9H,1-2H2,(H,7,8)(H2,10,11,12)/t4-,5+,6+/m0/s1
Definition date:2003-03-24
Last modified:2011-06-04
Identifier:2-deoxy-N-formyl-5-O-phosphono-beta-D-erythro-pentofuranosylamine
2DM
2DM
Name:2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATE
Formula:C20 H19 O6 P
SMILES:O=P(O)(O)OCC(O)COCc4ccc2ccc1cccc3c1c2c4cc3
InChi:InChI=1S/C20H19O6P/c21-17(12-26-27(22,23)24)11-25-10-16-7-6-15-5-4-13-2-1-3-14-8-9-18(16)20(15)19(13)14/h1-9,17,21H,10-12H2,(H2,22,23,24)/t17-/m0/s1
Definition date:2004-02-09
Last modified:2011-06-04
Identifier:(2S)-2-hydroxy-3-(pyren-1-ylmethoxy)propyl dihydrogen phosphate
2DS
2DS
Name:N-[(2,3-dihydroxyphenyl)carbonyl]-O-[(2R)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-hydroxypropanoyl]-L-serine
Formula:C20 H20 N2 O11
SMILES:O=C(O)C(NC(=O)c1cccc(O)c1O)COC(=O)C(NC(=O)c2cccc(O)c2O)CO
InChi:InChI=1S/C20H20N2O11/c23-7-11(21-17(28)9-3-1-5-13(24)15(9)26)20(32)33-8-12(19(30)31)22-18(29)10-4-2-6-14(25)16(10)27/h1-6,11-12,23-27H,7-8H2,(H,21,28)(H,22,29)(H,30,31)/t11-,12+/m1/s1
Definition date:2009-07-23
Last modified:2011-06-04
Identifier:N-[(2,3-dihydroxyphenyl)carbonyl]-O-[(2R)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-hydroxypropanoyl]-L-serine
2EA
2EA
Name:(1S)-2-(1H-INDOL-3-YL)-1-{[(5-ISOQUINOLIN-6-YLPYRIDIN-3-YL)OXY]METHYL}ETHYLAMINE
Formula:C25 H22 N4 O
SMILES:n2ccc1cc(ccc1c2)c5cc(OCC(N)CC3c4ccccc4N=C3)cnc5
InChi:InChI=1S/C25H22N4O/c26-22(10-21-14-29-25-4-2-1-3-24(21)25)16-30-23-11-20(13-28-15-23)17-5-6-19-12-27-8-7-18(19)9-17/h1-9,11-15,21-22H,10,16,26H2/t21?,22-/m0/s1
Definition date:2005-12-22
Last modified:2011-06-04
Identifier:(2S)-1-[(3R)-3H-indol-3-yl]-3-[(5-isoquinolin-6-ylpyridin-3-yl)oxy]propan-2-amine
2EG
2EG
Name:2'-DEOXY-N-ETHYLGUANOSINE 5'-PHOSPHATE
Formula:C12 H18 N5 O7 P
SMILES:O=C1c2ncn(c2N=C(NCC)N1)C3OC(C(O)C3)COP(=O)(O)O
InChi:InChI=1S/C12H18N5O7P/c1-2-13-12-15-10-9(11(19)16-12)14-5-17(10)8-3-6(18)7(24-8)4-23-25(20,21)22/h5-8,18H,2-4H2,1H3,(H2,20,21,22)(H2,13,15,16,19)/t6-,7+,8+/m0/s1
Definition date:2006-07-19
Last modified:2011-06-04
Identifier:2'-deoxy-N-ethylguanosine 5'-(dihydrogen phosphate)
2EQ
2EQ
Name:5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3-carboxamide
Formula:C23 H24 Cl N3 O5
SMILES:Clc1cc(c(O)cc1O)c2onc(C(=O)NCC)c2c3ccc(cc3)CN4CCOCC4
InChi:InChI=1S/C23H24ClN3O5/c1-2-25-23(30)21-20(22(32-26-21)16-11-17(24)19(29)12-18(16)28)15-5-3-14(4-6-15)13-27-7-9-31-10-8-27/h3-6,11-12,28-29H,2,7-10,13H2,1H3,(H,25,30)
Definition date:2007-09-24
Last modified:2011-06-04
Identifier:5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3-carboxamide
2ER
2ER
Name:[(2R,3S,4R,5R)-5-[4-AMINOCARBONYL-5-[[(Z)-[(3R,4R)-3,4-DIHYDROXY-2-OXO-5-PHOSPHONOOXY-PENTYL]IMINOMETHYL]AMINO]IMIDAZOL-1-YL]-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL DIHYDROGEN PHOSPHATE
Formula:C15 H25 N5 O15 P2
SMILES:NC(=O)c1ncn([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)c1NC=NCC(=O)[CH](O)[CH](O)CO[P](O)(O)=O
InChi:InChI=1S/C15H25N5O15P2/c16-13(26)9-14(18-4-17-1-6(21)10(23)7(22)2-33-36(27,28)29)20(5-19-9)15-12(25)11(24)8(35-15)3-34-37(30,31)32/h4-5,7-8,10-12,15,22-25H,1-3H2,(H2,16,26)(H,17,18)(H2,27,28,29)(H2,30,31,32)/t7-,8-,10+,11-,12-,15-/m1/s1
Definition date:2011-02-03
Last modified:2011-06-04
Identifier:[(2R,3S,4R,5R)-5-[4-aminocarbonyl-5-[[(Z)-[(3R,4R)-3,4-dihydroxy-2-oxo-5-phosphonooxy-pentyl]iminomethyl]amino]imidazol-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
2FF
2FF
Name:(5-(aminomethyl)-2H-spiro[benzofuran-3,4'-piperidine]-1'-yl)(5-(phenylethynyl)furan-2-yl)methanone
Formula:C26 H24 N2 O3
SMILES:O=C(N3CCC1(c2c(OC1)ccc(c2)CN)CC3)c5oc(C#Cc4ccccc4)cc5
InChi:InChI=1S/C26H24N2O3/c27-17-20-7-10-23-22(16-20)26(18-30-23)12-14-28(15-13-26)25(29)24-11-9-21(31-24)8-6-19-4-2-1-3-5-19/h1-5,7,9-11,16H,12-15,17-18,27H2
Definition date:2007-10-04
Last modified:2011-06-04
Identifier:1-(1'-{[5-(phenylethynyl)furan-2-yl]carbonyl}spiro[1-benzofuran-3,4'-piperidin]-5-yl)methanamine

223532

數據於2024-08-07公開中

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