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5NA
5NA
Name:2-hydroxy-5-methyl naphthoic acid
Formula:C12 H10 O3
SMILES:O=C(O)c1c2c(ccc1O)c(ccc2)C
InChi:InChI=1S/C12H10O3/c1-7-3-2-4-9-8(7)5-6-10(13)11(9)12(14)15/h2-6,13H,1H3,(H,14,15)
Synonyms:2-hydroxy-5-methylnaphthalene-1-carboxylic acid
Definition date:2009-07-10
Last modified:2020-06-17
Identifier:2-hydroxy-5-methylnaphthalene-1-carboxylic acid
5NK
5NK
Name:2-[[2-[[1-(2-azanylethyl)piperidin-4-yl]amino]-4-methyl-benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol
Formula:C22 H30 N6 O
SMILES:Cc1ccc(O)c(Cn2c(NC3CCN(CCN)CC3)nc4c(C)cccc24)n1
InChi:InChI=1S/C22H30N6O/c1-15-4-3-5-19-21(15)26-22(25-17-8-11-27(12-9-17)13-10-23)28(19)14-18-20(29)7-6-16(2)24-18/h3-7,17,29H,8-14,23H2,1-2H3,(H,25,26)
Synonyms:JNJ-2408068
Definition date:2015-10-27
Last modified:2020-06-17
Release date:2015-12-09
Identifier:2-[[2-[[1-(2-azanylethyl)piperidin-4-yl]amino]-4-methyl-benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol
L4P
L4P
Name:3-[GLYCEROLYLPHOSPHONYL]-[1,2-DI-PHYTANYL]GLYCEROL
Formula:C46 H95 O8 P
SMILES:O=P(O)(OCC(O)CO)OCC(OCCC(CCCC(C)CCCC(C)CCCC(C)C)C)COCCC(C)CCCC(C)CCCC(C)CCCC(C)C
InChi:InChI=1S/C46H95O8P/c1-37(2)17-11-19-39(5)21-13-23-41(7)25-15-27-43(9)29-31-51-35-46(36-54-55(49,50)53-34-45(48)33-47)52-32-30-44(10)28-16-26-42(8)24-14-22-40(6)20-12-18-38(3)4/h37-48H,11-36H2,1-10H3,(H,49,50)/t39-,40?,41-,42?,43-,44-,45-,46+/m1/s1
Synonyms:2,3-DI-O-PHYTANLY-3-SN-GLYCERO-1-PHOSPHORYL-3'-SN-GLYCEROL
Definition date:1999-09-22
Last modified:2020-06-17
Identifier:(2R)-2,3-dihydroxypropyl (2S)-2-{[(3R)-3,7,11,15-tetramethylhexadecyl]oxy}-3-{[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy}propyl hydrogen (R)-phosphate
X3J
X3J
Name:(2S)-2-{2-[(2-AMINOETHYL)AMINO]-2-OXOETHYL}-2-HYDROXYBUTANEDIOIC ACID
Formula:C8 H14 N2 O6
SMILES:O=C(O)CC(O)(C(=O)O)CC(=O)NCCN
InChi:InChI=1S/C8H14N2O6/c9-1-2-10-5(11)3-8(16,7(14)15)4-6(12)13/h16H,1-4,9H2,(H,10,11)(H,12,13)(H,14,15)/t8-/m0/s1
Synonyms:5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE
Definition date:2010-01-25
Last modified:2020-06-17
Identifier:(2S)-2-{2-[(2-aminoethyl)amino]-2-oxoethyl}-2-hydroxybutanedioic acid
5NP
5NP
Name:(9~{b}~{R})-9~{b}-(4-chlorophenyl)-1-pyridin-3-ylcarbonyl-2,3-dihydroimidazo[5,6]pyrrolo[1,2-~{a}]pyridin-5-one
Formula:C21 H15 Cl N4 O2
SMILES:Clc1ccc(cc1)[C]23N(CCN2C(=O)c4ccncc34)C(=O)c5cccnc5
InChi:InChI=1S/C21H15ClN4O2/c22-16-5-3-15(4-6-16)21-18-13-24-9-7-17(18)20(28)26(21)11-10-25(21)19(27)14-2-1-8-23-12-14/h1-9,12-13H,10-11H2/t21-/m0/s1
Synonyms:BTA-9881
Definition date:2015-10-27
Last modified:2020-06-17
Release date:2015-12-09
Identifier:(9~{b}~{R})-9~{b}-(4-chlorophenyl)-1-pyridin-3-ylcarbonyl-2,3-dihydroimidazo[5,6]pyrrolo[1,2-~{a}]pyridin-5-one
5OD
5OD
Name:6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine
Formula:C16 H19 Cl2 N5
SMILES:CC1(N)CCN(CC1)c2cnc(c(N)n2)c3cccc(Cl)c3Cl
InChi:InChI=1S/C16H19Cl2N5/c1-16(20)5-7-23(8-6-16)12-9-21-14(15(19)22-12)10-3-2-4-11(17)13(10)18/h2-4,9H,5-8,20H2,1H3,(H2,19,22)
Synonyms:SHP099
Definition date:2015-10-29
Last modified:2020-06-17
Release date:2016-06-29
Identifier:6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine
5OP
5OP
Name:(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-5,13-DIEN-1-OIC ACID
Formula:C20 H30 O5
SMILES:O=C(O)CCC/C=C/CC1C(=O)CC(O)C1C=CC(=O)CCCCC
InChi:InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-17,19,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4?,13-12+
Synonyms:15-OXO-PGE2
Definition date:2003-11-11
Last modified:2020-06-17
Identifier:(8beta,13E)-11-hydroxy-9,15-dioxoprosta-5,13-dien-1-oic acid
5PA
5PA
Name:N-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-Y-LMETHYL]-1-AMINO-CYCLOPROPANECARBOXYLIC ACID
Formula:C12 H17 N2 O7 P
SMILES:O=C(O)C2(NCc1c(cnc(c1O)C)COP(=O)(O)O)CC2
InChi:InChI=1S/C12H17N2O7P/c1-7-10(15)9(5-14-12(2-3-12)11(16)17)8(4-13-7)6-21-22(18,19)20/h4,14-15H,2-3,5-6H2,1H3,(H,16,17)(H2,18,19,20)
Synonyms:N-PYRIDOXYL-1-AMINO-CYCLOPROPANECARBOXYLIC ACID-5-MONOPHOSPHATE
Definition date:1999-10-21
Last modified:2020-06-17
Identifier:1-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopropanecarboxylic acid
5PI
5PI
Name:N-(ETHYLSULFONYL)-5-PROPOXY-L-TRYPTOPHYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-L-GLUTAMAMIDE
Formula:C29 H39 N7 O6 S
SMILES:O=C(NCc1ccc(C(=[N@H])N)cc1)C(NC(=O)C(NS(=O)(=O)CC)Cc3c2cc(OCCC)ccc2nc3)CCC(=O)N
InChi:InChI=1S/C29H39N7O6S/c1-3-13-42-21-9-10-23-22(15-21)20(17-33-23)14-25(36-43(40,41)4-2)29(39)35-24(11-12-26(30)37)28(38)34-16-18-5-7-19(8-6-18)27(31)32/h5-10,15,17,24-25,33,36H,3-4,11-14,16H2,1-2H3,(H2,30,37)(H3,31,32)(H,34,38)(H,35,39)/t24-,25+/m0/s1
Synonyms:2-[2-ETHANESULFONYLAMINO-3-(5-PROPOXY-1H-INDOL-3-YL)-PROPIONYLAMINO]-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIMIDOYL-BENZYLAMIDE)
Definition date:2004-12-17
Last modified:2020-06-17
Identifier:N-(ethylsulfonyl)-5-propoxy-D-tryptophyl-N~1~-(4-carbamimidoylbenzyl)-L-glutamamide
5PM
5PM
Name:4,4'-sulfanediylbis{N-[(1E)-pyridin-2-ylmethylidene]aniline}
Formula:C24 H18 N4 S
SMILES:N(/c3ccc(Sc2ccc(/N=C/c1ncccc1)cc2)cc3)=Cc4ncccc4
InChi:InChI=1S/C24H18N4S/c1-3-15-25-21(5-1)17-27-19-7-11-23(12-8-19)29-24-13-9-20(10-14-24)28-18-22-6-2-4-16-26-22/h1-18H/b27-17+,28-18+
Synonyms:1,1-Bis(N-(4-phenyl)-2-pyridylcarboxaldimine)thioether
Definition date:2009-03-17
Last modified:2020-06-17
Identifier:4,4'-sulfanediylbis{N-[(1E)-pyridin-2-ylmethylidene]aniline}
5PX
5PX
Name:4-Cyclopropyl-3,4-dihydro-7-hydroxy-2H-1,2,4-benzothiadiazine 1,1-dioxide
Formula:C10 H12 N2 O3 S
SMILES:Oc1ccc2N(CN[S](=O)(=O)c2c1)C3CC3
InChi:InChI=1S/C10H12N2O3S/c13-8-3-4-9-10(5-8)16(14,15)11-6-12(9)7-1-2-7/h3-5,7,11,13H,1-2,6H2
Synonyms:BPAM-521
Definition date:2015-11-05
Last modified:2020-06-17
Release date:2016-05-04
Identifier:4-cyclopropyl-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6},2,4-benzothiadiazin-7-ol
L7A
L7A
Name:N-(6-oxo-1,6-dihydro-3,4'-bipyridin-5-yl)benzamide
Formula:C17 H13 N3 O2
SMILES:O=C2C(NC(=O)c1ccccc1)=CC(=CN2)c3ccncc3
InChi:InChI=1S/C17H13N3O2/c21-16(13-4-2-1-3-5-13)20-15-10-14(11-19-17(15)22)12-6-8-18-9-7-12/h1-11H,(H,19,22)(H,20,21)
Synonyms:3-Benzoylamino-5-(pyridin-4-yl)-(1H)-pyridin-2-one
Definition date:2011-05-26
Last modified:2020-06-17
Identifier:N-(6-oxo-1,6-dihydro-3,4'-bipyridin-5-yl)benzamide
X6D
X6D
Name:6-BROMO-7-[4-(4-CHLOROBENZYL)PIPERAZIN-1-YL]-2-[4-(MORPHOLIN-4-YLMETHYL)PHENYL]-3H-IMIDAZO[4,5-B]PYRIDINE
Formula:C28 H30 Br Cl N6 O
SMILES:Clc1ccc(cc1)CN6CCN(c2c(Br)cnc3nc(nc23)c4ccc(cc4)CN5CCOCC5)CC6
InChi:InChI=1S/C28H30BrClN6O/c29-24-17-31-28-25(26(24)36-11-9-34(10-12-36)18-21-3-7-23(30)8-4-21)32-27(33-28)22-5-1-20(2-6-22)19-35-13-15-37-16-14-35/h1-8,17H,9-16,18-19H2,(H,31,32,33)
Synonyms:CTT137444
Definition date:2010-02-17
Last modified:2020-06-17
Identifier:6-bromo-7-[4-(4-chlorobenzyl)piperazin-1-yl]-2-[4-(morpholin-4-ylmethyl)phenyl]-3H-imidazo[4,5-b]pyridine
L86
L86
Name:(11S)-11-BENZYL-6-CHLORO-1,2,10,11,12,13,14,15,16,17,18,19-DODECAHYDRO-5,9-METHANO-2,5,8,10,13,17-BENZOHEXAAZACYCLOHENI COSINE-3,24-DIONE
Formula:C27 H33 Cl N6 O2
SMILES:O=C3NCc1ccccc1CCNCCCNCC(NC2=NC=C(Cl)N(C2=O)C3)Cc4ccccc4
InChi:InChI=1S/C27H33ClN6O2/c28-24-18-32-26-27(36)34(24)19-25(35)31-16-22-10-5-4-9-21(22)11-14-29-12-6-13-30-17-23(33-26)15-20-7-2-1-3-8-20/h1-5,7-10,18,23,29-30H,6,11-17,19H2,(H,31,35)(H,32,33)/t23-/m0/s1
Synonyms:COMPOUND 31
Definition date:2003-01-21
Last modified:2020-06-17
Identifier:(11S)-11-benzyl-6-chloro-1,2,10,11,12,13,14,15,16,17,18,19-dodecahydro-5,9-methano-2,5,8,10,13,17-benzohexaazacyclohenicosine-3,24(4H)-dione
X7E
X7E
Name:(4R)-5-[(S)-(3,4-DIFLUOROPHENYL)(HYDROXY)METHYL]-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-3,4-DIHYDROPYRIMIDINE-2(1H)-THIONE
Formula:C19 H18 F2 N2 O2 S
SMILES:S=C2NC(c1cccc(O)c1)C(=C(N2C)C)C(O)c3ccc(F)c(F)c3
InChi:InChI=1S/C19H18F2N2O2S/c1-10-16(18(25)12-6-7-14(20)15(21)9-12)17(22-19(26)23(10)2)11-4-3-5-13(24)8-11/h3-9,17-18,24-25H,1-2H3,(H,22,26)/t17-,18+/m1/s1
Synonyms:(R)-(3,4-DIFLUOROPHENYL)(4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)
Definition date:2010-02-26
Last modified:2020-06-17
Identifier:(4R)-5-[(S)-(3,4-difluorophenyl)(hydroxy)methyl]-4-(3-hydroxyphenyl)-1,6-dimethyl-3,4-dihydropyrimidine-2(1H)-thione
5R7
5R7
Name:(2~{S},3~{R})-3-methyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(sulfamoylamino)meth yl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid
Formula:C15 H26 N4 O6 S2
SMILES:CC(O)C(C=O)C2N=C(C(O)=O)C(SC1CNC(CNS(N)(=O)=O)C1)C2C
InChi:InChI=1S/C15H26N4O6S2/c1-7-12(11(6-20)8(2)21)19-13(15(22)23)14(7)26-10-3-9(17-5-10)4-18-27(16,24)25/h6-12,14,17-18,21H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/t7-,8-,9+,10+,11-,12-,14-/m1/s1
Synonyms:Doripenem(open form, pyrroline tautomer form 3, SP3 connection to Thio as R isomer)
Definition date:2015-11-16
Last modified:2020-06-17
Release date:2015-11-25
Identifier:(2S,3R,4R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid
L8P
L8P
Name:({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid
Formula:C8 H14 N3 O6 P
SMILES:O=P(O)(O)COC(CN1C=CC(=NC1=O)N)CO
InChi:InChI=1S/C8H14N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)/t6-/m0/s1
Synonyms:Cidofovir
Definition date:2011-02-01
Last modified:2020-06-17
Identifier:({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid
5RM
5RM
Name:(5R)-5-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-oxazolidin-2-one
Formula:C14 H19 N O4
SMILES:CCCOc1cc(ccc1OC)[C]2(C)CNC(=O)O2
InChi:InChI=1S/C14H19NO4/c1-4-7-18-12-8-10(5-6-11(12)17-3)14(2)9-15-13(16)19-14/h5-6,8H,4,7,9H2,1-3H3,(H,15,16)/t14-/m0/s1
Synonyms:(R)-MESOPRAM
Definition date:2004-11-17
Last modified:2020-06-17
Identifier:(5R)-5-(4-methoxy-3-propoxy-phenyl)-5-methyl-1,3-oxazolidin-2-one
L98
L98
Name:(2R)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-3-SULFANYLPROPANOIC ACID
Formula:C10 H13 N3 O2 S
SMILES:O=C(O)C(c1cc(NC(=[N@H])N)ccc1)CS
InChi:InChI=1S/C10H13N3O2S/c11-10(12)13-7-3-1-2-6(4-7)8(5-16)9(14)15/h1-4,8,16H,5H2,(H,14,15)(H4,11,12,13)/t8-/m1/s1
Synonyms:2-(3-GUANIDINOPHENYL)-3-MERCAPTOPROPANOIC ACID
Definition date:2005-04-28
Last modified:2020-06-17
Identifier:(2R)-2-(3-carbamimidamidophenyl)-3-sulfanylpropanoic acid
5S7
5S7
Name:(2~{R},3~{R},4~{S},5~{S})-2-[2,6-bis(azanyl)purin-9-yl]-5-(methylsulfanylmethyl)oxolane-3,4-diol
Formula:C11 H16 N6 O3 S
SMILES:CSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)nc(N)nc23
InChi:InChI=1S/C11H16N6O3S/c1-21-2-4-6(18)7(19)10(20-4)17-3-14-5-8(12)15-11(13)16-9(5)17/h3-4,6-7,10,18-19H,2H2,1H3,(H4,12,13,15,16)/t4-,6-,7-,10-/m1/s1
Synonyms:2-amino-5'-deoxy-5'-(methylthio)adenosine
Definition date:2015-11-19
Last modified:2020-06-17
Release date:2016-12-21
Identifier:(2~{R},3~{R},4~{S},5~{S})-2-[2,6-bis(azanyl)purin-9-yl]-5-(methylsulfanylmethyl)oxolane-3,4-diol
L9Q
L9Q
Name:(1S)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate
Formula:C41 H80 N O8 P
SMILES:O=C(OCC(OC(=O)CCCCCCCC=C/CCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCCCCC
InChi:InChI=1S/C41H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,39H,3-17,19,21-38,42H2,1-2H3,(H,45,46)/b20-18-/t39-/m0/s1
Synonyms:1-stearoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine
Definition date:2010-03-19
Last modified:2020-06-17
Identifier:(21S,24S)-27-amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24lambda~5~-phosphaheptacosan-21-yl (9Z)-octadec-9-enoate
5SP
5SP
Name:5-O-phosphono-D-xylulose
Formula:C5 H11 O8 P
SMILES:O=P(OCC(O)C(O)C(=O)CO)(O)O
InChi:InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5-/m1/s1
Synonyms:D-xylulose 5-phosphate
Definition date:2010-03-12
Last modified:2020-06-17
Identifier:5-O-phosphono-D-xylulose
LA8
LA8
Name:L-ADENOSINE-5'-DIPHOSPHATE
Formula:C10 H15 N5 O10 P2
SMILES:O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m0/s1
Synonyms:L-ADP
Definition date:2011-03-08
Last modified:2020-06-17
Identifier:9-{5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-beta-L-ribofuranosyl}-9H-purin-6-amine
LAE
LAE
Name:3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDRO-FURAN-3-YL)-AMIDE
Formula:C12 H19 N O4
SMILES:O=C1OCCC1NC(=O)CC(=O)CCCCC
InChi:InChI=1S/C12H19NO4/c1-2-3-4-5-9(14)8-11(15)13-10-6-7-17-12(10)16/h10H,2-8H2,1H3,(H,13,15)/t10-/m0/s1
Synonyms:N-(3-OXO-OCTANAL-1-YL)-HOMOSERINE LACTONE
Definition date:2002-03-07
Last modified:2020-06-17
Identifier:3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]octanamide
LAP
LAP
Name:[2-((1-OXODODECANOXY-(2-HYDROXY-3-PROPANYL))-PHOSPHONATE-OXY)-ETHYL]-TRIMETHYLAMMONIUM
Formula:C20 H43 N O7 P
SMILES:O=C(OCC(O)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCC
InChi:InChI=1S/C20H42NO7P/c1-5-6-7-8-9-10-11-12-13-14-20(23)26-17-19(22)18-28-29(24,25)27-16-15-21(2,3)4/h19,22H,5-18H2,1-4H3/p+1
Synonyms:L-ALFA-LYSOPHOSPHATIDYLCHOLINE, LAUROYL
Definition date:2002-09-02
Last modified:2020-06-17
Identifier:4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphahenicosan-1-aminium 4-oxide

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數據於2024-07-17公開中

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