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1P6
1P6
Name:3-(6-{[(1S)-1-(4-fluorophenyl)ethyl]amino}pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
Formula:C18 H16 F N7
SMILES:Fc1ccc(cc1)C(Nc4ncnc(c2c3ncccn3nc2N)c4)C
InChi:InChI=1S/C18H16FN7/c1-11(12-3-5-13(19)6-4-12)24-15-9-14(22-10-23-15)16-17(20)25-26-8-2-7-21-18(16)26/h2-11H,1H3,(H2,20,25)(H,22,23,24)/t11-/m0/s1
Definition date:2009-08-19
Last modified:2011-06-04
Identifier:3-(6-{[(1S)-1-(4-fluorophenyl)ethyl]amino}pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
MEC
MEC
Name:ETHYL-CARBAMIC ACID METHYL ESTER
Formula:C4 H9 N O2
SMILES:O=C(OC)NCC
InChi:InChI=1S/C4H9NO2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)
Definition date:1999-10-22
Last modified:2011-06-04
Identifier:methyl ethylcarbamate
MEK
MEK
Name:3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-5-[(2-hydroxyethoxy)methyl]benzamide
Formula:C18 H18 F3 I N2 O5
SMILES:O=C(NOCCO)c1c(c(F)c(F)c(c1)COCCO)Nc2ccc(I)cc2F
InChi:InChI=1S/C18H18F3IN2O5/c19-13-8-11(22)1-2-14(13)23-17-12(18(27)24-29-6-4-26)7-10(9-28-5-3-25)15(20)16(17)21/h1-2,7-8,23,25-26H,3-6,9H2,(H,24,27)
Definition date:2008-07-22
Last modified:2011-06-04
Identifier:3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-5-[(2-hydroxyethoxy)methyl]benzamide
1PI
1PI
Name:(3R)-3-[(2S)-2-amino-3-oxopropyl]piperidine-1-carboximidamide
Formula:C9 H18 N4 O
SMILES:O=CC(N)CC1CCCN(C(=[N@H])N)C1
InChi:InChI=1S/C9H18N4O/c10-8(6-14)4-7-2-1-3-13(5-7)9(11)12/h6-8H,1-5,10H2,(H3,11,12)/t7-,8+/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(3R)-3-[(2S)-2-amino-3-oxopropyl]piperidine-1-carboximidamide
MES
MES
Name:2-(N-MORPHOLINO)-ETHANESULFONIC ACID
Formula:C6 H13 N O4 S
SMILES:[O-]S(=O)(=O)CC[NH+]1CCOCC1
InChi:InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:2-morpholin-4-ium-4-ylethanesulfonate
1PR
1PR
Name:PHOSPHORIC ACID MONO-[5-({[5-CARBAMOYL-3-(5-PHOSPHONOOXY-5-DEOXY-RIBOFURANOSYL)- 3H-IMIDAZOL-4-YLAMINO]-METHYL}-AMINO)-2,3,4-TRIHYDROXY-PENTYL] ESTER
Formula:C15 H29 N5 O15 P2
SMILES:NC(=O)c1ncn([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)c1NCNC[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
InChi:InChI=1S/C15H29N5O15P2/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/h5-8,10-12,15,17-18,21-25H,1-4H2,(H2,16,26)(H2,27,28,29)(H2,30,31,32)/t6?,7-,8-,10+,11-,12-,15-/m1/s1
Definition date:2003-04-10
Last modified:2011-06-04
Identifier:[(2R,3S)-5-[[[5-aminocarbonyl-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]amino]methylamino]-2,3,4-trihydroxy-pentyl] dihydrogen phosphate
MFN
MFN
Name:N-[4,5,7-TRICARBOXYHEPTANOYL]-L-GAMMA-GLUTAMYL-N-{2-[4-({5-[(FORMYLAMINO)METHYL]-3-FURYL}METHOXY)PHENYL]ETHYL}-D-GLUTAMINE
Formula:C35 H44 N4 O16
SMILES:O=C(O)C(CCC(=O)O)C(C(=O)O)CCC(=O)NC(C(=O)O)CCC(=O)NC(C(=O)O)CCC(=O)NCCc2ccc(OCc1cc(oc1)CNC=O)cc2
InChi:InChI=1S/C35H44N4O16/c40-19-36-16-23-15-21(18-55-23)17-54-22-3-1-20(2-4-22)13-14-37-28(41)10-7-26(34(50)51)39-30(43)11-8-27(35(52)53)38-29(42)9-5-24(32(46)47)25(33(48)49)6-12-31(44)45/h1-4,15,18-19,24-27H,5-14,16-17H2,(H,36,40)(H,37,41)(H,38,42)(H,39,43)(H,44,45)(H,46,47)(H,48,49)(H,50,51)(H,52,53)/t24?,25?,26-,27+/m1/s1
Definition date:2006-02-20
Last modified:2011-06-04
Identifier:N-[(4R)-4,5,7-tricarboxyheptanoyl]-L-gamma-glutamyl-N-{2-[4-({5-[(formylamino)methyl]furan-3-yl}methoxy)phenyl]ethyl}-D-glutamine
MFP
MFP
Name:((2-BROMO-4-METHYLPHENYL){6-[(4-{[(2R)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)ACETONITRILE
Formula:C24 H27 Br N6 O2
SMILES:Brc1cc(ccc1N(c3ncnc(Nc2ccc(OCC(O)CN(C)C)cc2)c3)CC#N)C
InChi:InChI=1S/C24H27BrN6O2/c1-17-4-9-22(21(25)12-17)31(11-10-26)24-13-23(27-16-28-24)29-18-5-7-20(8-6-18)33-15-19(32)14-30(2)3/h4-9,12-13,16,19,32H,11,14-15H2,1-3H3,(H,27,28,29)/t19-/m1/s1
Definition date:2002-06-11
Last modified:2011-06-04
Identifier:[(2-bromo-4-methylphenyl){6-[(4-{[(2R)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-yl}amino]acetonitrile
MFT
MFT
Name:3-methylthymidine 5'-(dihydrogen phosphate)
Formula:C11 H17 N2 O8 P
SMILES:O=P(O)(O)OCC2OC(N1C(=O)N(C(=O)C(=C1)C)C)CC2O
InChi:InChI=1S/C11H17N2O8P/c1-6-4-13(11(16)12(2)10(6)15)9-3-7(14)8(21-9)5-20-22(17,18)19/h4,7-9,14H,3,5H2,1-2H3,(H2,17,18,19)/t7-,8+,9+/m0/s1
Definition date:2010-07-23
Last modified:2011-06-04
Identifier:3-methylthymidine 5'-(dihydrogen phosphate)
MG1
MG1
Name:2'-DEOXY-1-METHYLGUANOSINE 5'-(DIHYDROGEN PHOSPHATE)
Formula:C11 H16 N5 O7 P
SMILES:O=C1c2ncn(c2N=C(N)N1C)C3OC(C(O)C3)COP(=O)(O)O
InChi:InChI=1S/C11H16N5O7P/c1-15-10(18)8-9(14-11(15)12)16(4-13-8)7-2-5(17)6(23-7)3-22-24(19,20)21/h4-7,17H,2-3H2,1H3,(H2,12,14)(H2,19,20,21)/t5-,6+,7+/m0/s1
Definition date:2007-03-07
Last modified:2011-06-04
Identifier:2'-deoxy-1-methylguanosine 5'-(dihydrogen phosphate)
MG7
MG7
Name:7-METHYLGUANOSINE
Formula:C11 H16 N5 O5
SMILES:O=C1c2[n+](cn(c2N=C(N)N1)C3OC(C(O)C3O)CO)C
InChi:InChI=1S/C11H15N5O5/c1-15-3-16(8-5(15)9(20)14-11(12)13-8)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2-,12,13,14,20)/p+1/t4-,6-,7-,10-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:7-methylguanosine
MGO
MGO
Name:[[(2R,3S,4R,5R)-5-(6-AMINO-3-METHYL-4-OXO-5H-IMIDAZO[4,5-C]PYRIDIN-1-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHOXY-HYDROXY-PHOSPHORYL] PHOSPHONO HYDROGEN PHOSPHATE
Formula:C12 H20 N4 O14 P3
SMILES:O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n1c[n+](c2c1C=C(N)NC2=O)C)C(O)C3O
InChi:InChI=1S/C12H19N4O14P3/c1-15-4-16(5-2-7(13)14-11(19)8(5)15)12-10(18)9(17)6(28-12)3-27-32(23,24)30-33(25,26)29-31(20,21)22/h2,4,6,9-10,12,17-18H,3H2,1H3,(H6-,13,14,19,20,21,22,23,24,25,26)/p+1/t6-,9-,10-,12-/m1/s1
Definition date:2007-08-16
Last modified:2011-06-04
Identifier:6-amino-1-{5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-3-methyl-4-oxo-4,5-dihydro-1H-imidazo[4,5-c]pyridin-3-ium
MGP
MGP
Name:7-METHYL-GUANOSINE-5'-TRIPHOSPHATE
Formula:C11 H19 N5 O14 P3
SMILES:O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2c[n+](c1c2N=C(N)NC1=O)C)C(O)C3O
InChi:InChI=1S/C11H18N5O14P3/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H6-,12,13,14,19,20,21,22,23,24,25,26)/p+1/t4-,6-,7-,10-/m1/s1
Definition date:2001-05-16
Last modified:2011-06-04
Identifier:7-methylguanosine 5'-(tetrahydrogen triphosphate)
MGQ
MGQ
Name:7-BENZYL GUANINE MONOPHOSPHATE
Formula:C17 H21 N5 O8 P
SMILES:O=C1c2[n+](cn(c2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O)Cc4ccccc4
InChi:InChI=1S/C17H20N5O8P/c18-17-19-14-11(15(25)20-17)21(6-9-4-2-1-3-5-9)8-22(14)16-13(24)12(23)10(30-16)7-29-31(26,27)28/h1-5,8,10,12-13,16,23-24H,6-7H2,(H4-,18,19,20,25,26,27,28)/p+1/t10-,12-,13-,16-/m1/s1
Definition date:2007-08-16
Last modified:2011-06-04
Identifier:7-benzylguanosine 5'-(dihydrogen phosphate)
MGT
MGT
Name:7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE
Formula:C11 H20 N5 O14 P3
SMILES:O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(N1C=2N=C(N)NC(=O)C=2N(C1)C)C(O)C3O
InChi:InChI=1S/C11H20N5O14P3/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h4,6-7,10,17-18H,2-3H2,1H3,(H,23,24)(H,25,26)(H2,20,21,22)(H3,12,13,14,19)/t4-,6-,7-,10-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:7-methylguanosine 5'-(tetrahydrogen triphosphate)
MGV
MGV
Name:P-FLUORO-7-BENZYL GUANINE MONOPHOSPHATE
Formula:C17 H20 F N5 O8 P
SMILES:Fc1ccc(cc1)C[n+]3c2c(N=C(N)NC2=O)n(c3)C4OC(C(O)C4O)COP(=O)(O)O
InChi:InChI=1S/C17H19FN5O8P/c18-9-3-1-8(2-4-9)5-22-7-23(14-11(22)15(26)21-17(19)20-14)16-13(25)12(24)10(31-16)6-30-32(27,28)29/h1-4,7,10,12-13,16,24-25H,5-6H2,(H4-,19,20,21,26,27,28,29)/p+1/t10-,12-,13-,16-/m1/s1
Definition date:2007-08-16
Last modified:2011-06-04
Identifier:7-(4-fluorobenzyl)guanosine 5'-(dihydrogen phosphate)
MH4
MH4
Name:1-METHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-N-[(2-METHYLPYRIDIN-4-YL)METHYL]-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE
Formula:C29 H33 N9 O
SMILES:O=C(NCc1ccnc(c1)C)c4nn(c3c2nc(ncc2CCc34)Nc5ccc(cc5)N6CCN(C)CC6)C
InChi:InChI=1S/C29H33N9O/c1-19-16-20(10-11-30-19)17-31-28(39)26-24-9-4-21-18-32-29(34-25(21)27(24)37(3)35-26)33-22-5-7-23(8-6-22)38-14-12-36(2)13-15-38/h5-8,10-11,16,18H,4,9,12-15,17H2,1-3H3,(H,31,39)(H,32,33,34)
Definition date:2010-04-23
Last modified:2011-06-04
Identifier:1-methyl-8-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-N-[(2-methylpyridin-4-yl)methyl]-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
MHC
MHC
Name:3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO-B-CARBOLIN-2-YL)-PROPAN-1-ONE
Formula:C14 H16 N2 O S
SMILES:O=C(N3CCc2c1ccccc1nc2C3)CCS
InChi:InChI=1S/C14H16N2OS/c17-14(6-8-18)16-7-5-11-10-3-1-2-4-12(10)15-13(11)9-16/h1-4,15,18H,5-9H2
Definition date:2002-12-06
Last modified:2011-06-04
Identifier:3-oxo-3-(1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl)propane-1-thiol
MHF
MHF
Name:5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACID
Formula:C20 H23 N7 O6
SMILES:O=C(O)C(NC(=O)c1ccc(cc1)N4CC3N(C=2C(=O)N=C(N)NC=2NC3)C4)CCC(=O)O
InChi:InChI=1S/C20H23N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,12-13H,5-9H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t12-,13+/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:N-({4-[(6aR)-3-amino-1-oxo-1,4,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}carbonyl)-L-glutamic acid
MHH
MHH
Name:methyl hydrogen (R)-hexylphosphonate
Formula:C7 H17 O3 P
SMILES:O=P(O)(OC)CCCCCC
InChi:InChI=1S/C7H17O3P/c1-3-4-5-6-7-11(8,9)10-2/h3-7H2,1-2H3,(H,8,9)
Definition date:2008-01-28
Last modified:2011-06-04
Identifier:methyl hydrogen (R)-hexylphosphonate
1SC
1SC
Name:5'-O-THIOPHOSPHONOCYTIDINE
Formula:C9 H14 N3 O7 P S
SMILES:O=P(O)(S)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O
InChi:InChI=1S/C9H14N3O7PS/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(19-8)3-18-20(16,17)21/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,21)/t4-,6-,7-,8-/m1/s1
Definition date:2006-10-19
Last modified:2011-06-04
Identifier:5'-O-thiophosphonocytidine
1SP
1SP
Name:(2S)-pentane-1,2-diol
Formula:C5 H12 O2
SMILES:OCC(O)CCC
InChi:InChI=1S/C5H12O2/c1-2-3-5(7)4-6/h5-7H,2-4H2,1H3/t5-/m0/s1
Definition date:2009-03-27
Last modified:2011-06-04
Identifier:(2S)-pentane-1,2-diol
MHZ
MHZ
Name:5'-DEOXY-5'-[(3-HYDRAZINOPROPYL)METHYLAMINO]ADENOSINE
Formula:C14 H24 N8 O3
SMILES:n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CN(CCCNN)C)N
InChi:InChI=1S/C14H24N8O3/c1-21(4-2-3-20-16)5-8-10(23)11(24)14(25-8)22-7-19-9-12(15)17-6-18-13(9)22/h6-8,10-11,14,20,23-24H,2-5,16H2,1H3,(H2,15,17,18)/t8-,10-,11-,14-/m1/s1
Definition date:2001-03-13
Last modified:2011-06-04
Identifier:5'-deoxy-5'-[(3-hydrazinopropyl)(methyl)amino]adenosine
MI3
MI3
Name:3'-O-{[2-(methylamino)phenyl]carbonyl}inosine 5'-(tetrahydrogen triphosphate)
Formula:C18 H22 N5 O15 P3
SMILES:O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC4OC(n2cnc1c2N=CNC1=O)C(O)C4OC(=O)c3ccccc3NC
InChi:InChI=1S/C18H22N5O15P3/c1-19-10-5-3-2-4-9(10)18(26)36-14-11(6-34-40(30,31)38-41(32,33)37-39(27,28)29)35-17(13(14)24)23-8-22-12-15(23)20-7-21-16(12)25/h2-5,7-8,11,13-14,17,19,24H,6H2,1H3,(H,30,31)(H,32,33)(H,20,21,25)(H2,27,28,29)/t11-,13-,14-,17-/m1/s1
Definition date:2009-02-18
Last modified:2011-06-04
Identifier:3'-O-{[2-(methylamino)phenyl]carbonyl}inosine 5'-(tetrahydrogen triphosphate)
MI4
MI4
Name:(1R,3R,7E,17beta)-17-{(1S,2E,5R)-5-hydroxy-1-methyl-6-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hex-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
Formula:C36 H54 O3
SMILES:OC6C(=C)C(O)CC(=CC=C2C1CCC(C1(C)CCC2)C(/C=C/CC(O)CC34CC5CC(C3)CC(C4)C5)C)C6
InChi:InChI=1S/C36H54O3/c1-23(6-4-8-30(37)22-36-19-26-14-27(20-36)16-28(15-26)21-36)31-11-12-32-29(7-5-13-35(31,32)3)10-9-25-17-33(38)24(2)34(39)18-25/h4,6,9-10,23,26-28,30-34,37-39H,2,5,7-8,11-22H2,1,3H3/b6-4+,29-10+/t23-,26-,27+,28-,30+,31+,32-,33+,34+,35+,36-/m0/s1
Definition date:2008-05-13
Last modified:2011-06-04
Identifier:(1R,3R,7E,17beta)-17-{(1S,2E,5R)-5-hydroxy-1-methyl-6-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hex-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol

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數據於2024-09-11公開中

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