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7IN
7IN
Name:N-(BENZYLSULFONYL)SERYL-N~1~-{4-[(Z)-AMINO(IMINO)METHYL]BENZYL}SERINAMIDE
Formula:C21 H27 N5 O6 S
SMILES:O=S(=O)(NC(C(=O)NC(C(=O)NCc1ccc(cc1)C(=[N@H])N)CO)CO)Cc2ccccc2
InChi:InChI=1S/C21H27N5O6S/c22-19(23)16-8-6-14(7-9-16)10-24-20(29)17(11-27)25-21(30)18(12-28)26-33(31,32)13-15-4-2-1-3-5-15/h1-9,17-18,26-28H,10-13H2,(H3,22,23)(H,24,29)(H,25,30)/t17-,18+/m0/s1
Definition date:2004-02-11
Last modified:2011-06-04
Identifier:N-(benzylsulfonyl)-D-seryl-N-(4-carbamimidoylbenzyl)-L-serinamide
MSM
MSM
Name:(METHYLSULFANYL)METHANE
Formula:C2 H6 S
SMILES:sulfanediyldimethane
InChi:InChI=1S/C2H6S/c1-3-2/h1-2H3
Definition date:2004-11-02
Last modified:2011-06-04
Identifier:dimethyl sulfide
MSN
MSN
Name:(1R,2R,3R,4S,5R)-4-AMINO-5-(METHYLTHIO)CYCLOPENTANE-1,2,3-TRIOL
Formula:C6 H13 N O3 S
SMILES:OC1C(O)C(N)C(SC)C1O
InChi:InChI=1S/C6H13NO3S/c1-11-6-2(7)3(8)4(9)5(6)10/h2-6,8-10H,7H2,1H3/t2-,3+,4+,5+,6+/m0/s1
Definition date:2005-12-28
Last modified:2011-06-04
Identifier:(1R,2R,3R,4S,5R)-4-amino-5-(methylsulfanyl)cyclopentane-1,2,3-triol
MSP
MSP
Name:5'-O-[(L-METHIONYL)-SULPHAMOYL]ADENOSINE
Formula:C15 H25 N7 O7 S2
SMILES:O=C(NS(=O)(=O)OCC3OC(N2C=NC1=C(N)NC=NC12)C(O)C3O)C(N)CCSC
InChi:InChI=1S/C15H25N7O7S2/c1-30-3-2-7(16)14(25)21-31(26,27)28-4-8-10(23)11(24)15(29-8)22-6-20-9-12(17)18-5-19-13(9)22/h5-8,10-11,13,15,23-24H,2-4,16-17H2,1H3,(H,18,19)(H,21,25)/t7-,8+,10+,11+,13?,15+/m0/s1
Definition date:2003-05-30
Last modified:2011-06-04
Identifier:5'-O-(L-methionylsulfamoyl)adenosine
MSR
MSR
Name:4-(1H-IMIDAZOL-1-YL)PHENOL
Formula:C9 H8 N2 O
SMILES:n2ccn(c1ccc(O)cc1)c2
InChi:InChI=1S/C9H8N2O/c12-9-3-1-8(2-4-9)11-6-5-10-7-11/h1-7,12H
Definition date:2007-02-06
Last modified:2011-06-04
Identifier:4-(1H-imidazol-1-yl)phenol
MT5
MT5
Name:N-[(3E,5R,6R,7S,8R,8AR)-5,6,7,8-TETRAHYDROXYHEXAHYDROIMIDAZO[1,5-A]PYRIDIN-3(2H)-YLIDENE]OCTAN-1-AMINIUM
Formula:C15 H30 N3 O4
SMILES:OC2C1N(C(/NC1)=[NH+]CCCCCCCC)C(O)C(O)C2O
InChi:InChI=1S/C15H29N3O4/c1-2-3-4-5-6-7-8-16-15-17-9-10-11(19)12(20)13(21)14(22)18(10)15/h10-14,19-22H,2-9H2,1H3,(H,16,17)/p+1/t10-,11-,12+,13-,14-/m1/s1
Definition date:2009-03-23
Last modified:2011-06-04
Identifier:N-[(3E,5R,6R,7S,8R,8aR)-5,6,7,8-tetrahydroxyhexahydroimidazo[1,5-a]pyridin-3(2H)-ylidene]octan-1-aminium
MTA
MTA
Name:5'-DEOXY-5'-METHYLTHIOADENOSINE
Formula:C11 H15 N5 O3 S
SMILES:n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CSC)N
InChi:InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:5'-S-methyl-5'-thioadenosine
MTE
MTE
Name:PHOSPHONIC ACIDMONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,7,8A,9,10,10A-HEXAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL)ESTER
Formula:C10 H14 N5 O6 P S2
SMILES:O=P(O)(O)OCC2OC3NC=1N=C(NC(=O)C=1NC3C(S)=C2S)N
InChi:InChI=1S/C10H14N5O6PS2/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19/h2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16)/t2-,3+,9-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:[(5aR,8R,9aR)-2-amino-4-oxo-6,7-disulfanyl-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogen phosphate
MTR
MTR
Name:(5-METHYL-6-OXO-1,6-DIHYDRO-PYRIDIN-3-YL)-1,2-DIDEOXY-RIBOFURANOSE-5-MONOPHOSPHATE
Formula:C11 H16 N O7 P
SMILES:O=P(OCC2OC(C=1C=C(C(=O)NC=1)C)CC2O)(O)O
InChi:InChI=1S/C11H16NO7P/c1-6-2-7(4-12-11(6)14)9-3-8(13)10(19-9)5-18-20(15,16)17/h2,4,8-10,13H,3,5H2,1H3,(H,12,14)(H2,15,16,17)/t8-,9+,10+/m0/s1
Definition date:2003-01-09
Last modified:2011-06-04
Identifier:(1R)-1,4-anhydro-2-deoxy-1-(5-methyl-6-oxo-1,6-dihydropyridin-3-yl)-5-O-phosphono-D-erythro-pentitol
MTU
MTU
Name:9-BETA-D-RIBOFURANOSYL-9H-PURIN-2-AMINE
Formula:C10 H14 N5 O7 P
SMILES:O=P(O)(O)OCC3OC(n2cnc1cnc(nc12)N)C(O)C3O
InChi:InChI=1S/C10H14N5O7P/c11-10-12-1-4-8(14-10)15(3-13-4)9-7(17)6(16)5(22-9)2-21-23(18,19)20/h1,3,5-7,9,16-17H,2H2,(H2,11,12,14)(H2,18,19,20)/t5-,6-,7-,9-/m1/s1
Definition date:2004-04-09
Last modified:2011-06-04
Identifier:9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purin-2-amine
MUF
MUF
Name:(8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid
Formula:C27 H32 O4
SMILES:O=C(O)C5=CC4=CCC2C(CCC3(C(C(=O)c1ccc(O)cc1)CCC23)C)C4(C)CC5
InChi:InChI=1S/C27H32O4/c1-26-13-11-17(25(30)31)15-18(26)5-8-20-21-9-10-23(27(21,2)14-12-22(20)26)24(29)16-3-6-19(28)7-4-16/h3-7,15,20-23,28H,8-14H2,1-2H3,(H,30,31)/t20-,21-,22-,23+,26-,27-/m0/s1
Definition date:2007-11-27
Last modified:2011-06-04
Identifier:(8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid
MUG
MUG
Name:4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOSE
Formula:C16 H18 O8
SMILES:O=C2Oc3cc(OC1OC(C(O)C(O)C1O)CO)ccc3C(=C2)C
InChi:InChI=1S/C16H18O8/c1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13(19)11(6-17)24-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16+/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:4-methyl-2-oxo-2H-chromen-7-yl alpha-D-glucopyranoside
MUH
MUH
Name:N-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE
Formula:C24 H18 F3 N5 O
SMILES:FC(F)(F)c1cccc(c1)C(=O)Nc2cc(c(cc2)C)Nc3ncccc3c4ncncc4
InChi:InChI=1S/C24H18F3N5O/c1-15-7-8-18(31-23(33)16-4-2-5-17(12-16)24(25,26)27)13-21(15)32-22-19(6-3-10-29-22)20-9-11-28-14-30-20/h2-14H,1H3,(H,29,32)(H,31,33)
Definition date:2007-02-07
Last modified:2011-06-04
Identifier:N-{4-methyl-3-[(3-pyrimidin-4-ylpyridin-2-yl)amino]phenyl}-3-(trifluoromethyl)benzamide
MUV
MUV
Name:N-{(1S,2R)-1-BENZYL-3-[(CYCLOPROPYLMETHYL)(2-FURYLSULFONYL)AMINO]-2-HYDROXYPROPYL}-N'-METHYLSUCCINAMIDE
Formula:C23 H31 N3 O6 S
SMILES:O=S(=O)(N(CC1CC1)CC(O)C(NC(=O)CCC(=O)NC)Cc2ccccc2)c3occc3
InChi:InChI=1S/C23H31N3O6S/c1-24-21(28)11-12-22(29)25-19(14-17-6-3-2-4-7-17)20(27)16-26(15-18-9-10-18)33(30,31)23-8-5-13-32-23/h2-8,13,18-20,27H,9-12,14-16H2,1H3,(H,24,28)(H,25,29)/t19-,20+/m0/s1
Definition date:2007-05-08
Last modified:2011-06-04
Identifier:N-{(1S,2R)-1-benzyl-3-[(cyclopropylmethyl)(furan-2-ylsulfonyl)amino]-2-hydroxypropyl}-N'-methylbutanediamide
9TA
9TA
Name:1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-ETHYLAMINO]-ANTHRAQUINONE
Formula:C14 H8 O2
SMILES:O=C2c1c(cccc1)C(=O)c3c2cccc3
InChi:InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H
Definition date:2000-07-28
Last modified:2011-06-04
Identifier:anthracene-9,10-dione
600
600
Name:6-[4-((2S)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)PHENYL]-2-[(1S)-1-METHOXY-3-METHYLBUTYL]QUINOLIN-8-YLPHOSPHONIC ACID
Formula:C43 H42 F2 N4 O7 P2
SMILES:O=P(O)(O)c1c7nc(ccc7cc(c1)c2ccc(cc2)CC(c3ccccc3)(n5nnc4ccccc45)Cc6ccc(cc6)C(F)(F)P(=O)(O)O)C(OC)CC(C)C
InChi:InChI=1S/C43H42F2N4O7P2/c1-28(2)23-39(56-3)37-22-19-32-24-33(25-40(41(32)46-37)57(50,51)52)31-17-13-29(14-18-31)26-42(34-9-5-4-6-10-34,49-38-12-8-7-11-36(38)47-48-49)27-30-15-20-35(21-16-30)43(44,45)58(53,54)55/h4-22,24-25,28,39H,23,26-27H2,1-3H3,(H2,50,51,52)(H2,53,54,55)/t39-,42+/m0/s1
Definition date:2003-08-19
Last modified:2011-06-04
Identifier:(6-{4-[(2R)-2-(1H-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl]phenyl}-2-[(1S)-1-methoxy-3-methylbutyl]quinolin-8-yl)phosphonic acid
605
605
Name:4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-3-carboxamide
Formula:C21 H18 F2 N2 O
SMILES:Fc1ccc(F)cc1CC(c3ccc(c2cc(C(=O)N)ccc2)cc3)N
InChi:InChI=1S/C21H18F2N2O/c22-18-8-9-19(23)17(11-18)12-20(24)14-6-4-13(5-7-14)15-2-1-3-16(10-15)21(25)26/h1-11,20H,12,24H2,(H2,25,26)/t20-/m1/s1
Definition date:2008-05-16
Last modified:2011-06-04
Identifier:4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-3-carboxamide
606
606
Name:(2S)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-3-[(S)-HYDROXY(3-PHENYLPROPYL)PHOSPHORYL]PROPANOIC ACID
Formula:C19 H24 N3 O4 P
SMILES:O=C(O)C(c1cc(NC(=[N@H])N)ccc1)CP(=O)(O)CCCc2ccccc2
InChi:InChI=1S/C19H24N3O4P/c20-19(21)22-16-10-4-9-15(12-16)17(18(23)24)13-27(25,26)11-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-10,12,17H,5,8,11,13H2,(H,23,24)(H,25,26)(H4,20,21,22)/t17-/m0/s1
Definition date:2007-04-20
Last modified:2011-06-04
Identifier:(2S)-2-(3-carbamimidamidophenyl)-3-[(S)-hydroxy(3-phenylpropyl)phosphoryl]propanoic acid
608
608
Name:N-(4-phenoxyphenyl)-2-[(pyridin-4-ylmethyl)amino]nicotinamide
Formula:C24 H20 N4 O2
SMILES:O=C(c2cccnc2NCc1ccncc1)Nc4ccc(Oc3ccccc3)cc4
InChi:InChI=1S/C24H20N4O2/c29-24(22-7-4-14-26-23(22)27-17-18-12-15-25-16-13-18)28-19-8-10-21(11-9-19)30-20-5-2-1-3-6-20/h1-16H,17H2,(H,26,27)(H,28,29)
Definition date:2007-07-16
Last modified:2011-06-04
Identifier:N-(4-phenoxyphenyl)-2-[(pyridin-4-ylmethyl)amino]pyridine-3-carboxamide
609
609
Name:7-oxo-7H-benzimidazo[2,1-a]benz[de]isoquinoline-3-carboxylic acid
Formula:C19 H10 N2 O3
SMILES:O=C(O)c5c3cccc4C(=O)n1c(nc2ccccc12)c(c34)cc5
InChi:InChI=1S/C19H10N2O3/c22-18-13-5-3-4-10-11(19(23)24)8-9-12(16(10)13)17-20-14-6-1-2-7-15(14)21(17)18/h1-9H,(H,23,24)
Definition date:2008-11-04
Last modified:2011-06-04
Identifier:7-oxo-7H-benzimidazo[2,1-a]benzo[de]isoquinoline-3-carboxylic acid
610
610
Name:N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-purin-9-yl-oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide
Formula:C19 H18 N6 O8
SMILES:[O-][N+](=O)c1cc(c(O)c(O)c1)C(=O)NC/C=C/C4OC(n3cnc2cncnc23)C(O)C4O
InChi:InChI=1S/C19H18N6O8/c26-12-5-9(25(31)32)4-10(14(12)27)18(30)21-3-1-2-13-15(28)16(29)19(33-13)24-8-23-11-6-20-7-22-17(11)24/h1-2,4-8,13,15-16,19,26-29H,3H2,(H,21,30)/b2-1+/t13-,15-,16-,19-/m1/s1
Definition date:2010-08-24
Last modified:2011-06-04
Identifier:9-{(5E)-5,6,7-trideoxy-7-[(2,3-dihydroxy-5-nitrobenzoyl)amino]-beta-D-ribo-hept-5-enofuranosyl}-9H-purine
611
611
Name:N-[(E)-3-[(2R,3S,4R,5S)-3,4-dihydroxy-5-pyridin-4-ylsulfanyl-oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide
Formula:C19 H19 N3 O8 S
SMILES:[O-][N+](=O)c1cc(c(O)c(O)c1)C(=O)NC/C=C/C3OC(Sc2ccncc2)C(O)C3O
InChi:InChI=1S/C19H19N3O8S/c23-13-9-10(22(28)29)8-12(15(13)24)18(27)21-5-1-2-14-16(25)17(26)19(30-14)31-11-3-6-20-7-4-11/h1-4,6-9,14,16-17,19,23-26H,5H2,(H,21,27)/b2-1+/t14-,16-,17-,19+/m1/s1
Definition date:2010-08-24
Last modified:2011-06-04
Identifier:pyridin-4-yl (5E)-5,6,7-trideoxy-7-[(2,3-dihydroxy-5-nitrobenzoyl)amino]-1-thio-beta-D-ribo-hept-5-enofuranoside
615
615
Name:(1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin-4-yl)methoxy]benzyl}cyclopropane-1,2-dicarboxamide
Formula:C28 H25 N3 O4
SMILES:O=C(NO)C1CC1(C(=O)N)Cc5ccc(OCc2c4ccccc4nc(c2)c3ccccc3)cc5
InChi:InChI=1S/C28H25N3O4/c29-27(33)28(16-23(28)26(32)31-34)15-18-10-12-21(13-11-18)35-17-20-14-25(19-6-2-1-3-7-19)30-24-9-5-4-8-22(20)24/h1-14,23,34H,15-17H2,(H2,29,33)(H,31,32)/t23-,28+/m1/s1
Definition date:2008-08-22
Last modified:2011-06-04
Identifier:(1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin-4-yl)methoxy]benzyl}cyclopropane-1,2-dicarboxamide
619
619
Name:N-[(E)-3-[(2R,3S,4R,5R)-5-(6-ethylaminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide
Formula:C27 H27 F N6 O6
SMILES:Fc1ccc(cc1)c2cc(c(O)c(O)c2)C(=O)NC/C=C/C5OC(n4cnc3c(ncnc34)NCC)C(O)C5O
InChi:InChI=1S/C27H27FN6O6/c1-2-29-24-20-25(32-12-31-24)34(13-33-20)27-23(38)22(37)19(40-27)4-3-9-30-26(39)17-10-15(11-18(35)21(17)36)14-5-7-16(28)8-6-14/h3-8,10-13,19,22-23,27,35-38H,2,9H2,1H3,(H,30,39)(H,29,31,32)/b4-3+/t19-,22-,23-,27-/m1/s1
Definition date:2009-06-22
Last modified:2011-06-04
Identifier:N-ethyl-9-[(5E)-5,6,7-trideoxy-7-{[(4'-fluoro-4,5-dihydroxybiphenyl-3-yl)carbonyl]amino}-beta-D-ribo-hept-5-enofuranosyl]-9H-purin-6-amine
61E
61E
Name:4-(2-chlorophenyl)-8-[3-(dimethylamino)propoxy]-9-hydroxy-6-methylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione
Formula:C26 H24 Cl N3 O4
SMILES:Clc1ccccc1c4c5c(c3c2cc(O)c(OCCCN(C)C)cc2n(c3c4)C)C(=O)NC5=O
InChi:InChI=1S/C26H24ClN3O4/c1-29(2)9-6-10-34-21-13-18-16(12-20(21)31)22-19(30(18)3)11-15(14-7-4-5-8-17(14)27)23-24(22)26(33)28-25(23)32/h4-5,7-8,11-13,31H,6,9-10H2,1-3H3,(H,28,32,33)
Definition date:2007-12-06
Last modified:2011-06-04
Identifier:4-(2-chlorophenyl)-8-[3-(dimethylamino)propoxy]-9-hydroxy-6-methylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione

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数据于2024-08-07公开中

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