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LFA
LFA
Name:EICOSANE
Formula:C20 H42
SMILES:C(CCCCCCCCCCCCCCCCC)CC
InChi:InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3
Synonyms:LIPID FRAGMENT
Definition date:2003-11-19
Last modified:2021-03-01
Identifier:icosane
LFX
LFX
Name:(3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid
Formula:C18 H20 F N3 O4
SMILES:O=C(O)C=1C(=O)c4c2N(C=1)C(COc2c(N3CCN(C)CC3)c(F)c4)C
InChi:InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1
Synonyms:Levofloxacin
Definition date:2009-10-20
Last modified:2021-03-01
Identifier:(3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid
3F0
3F0
Name:2-azanyl-3-fluoranyl-benzoic acid
Formula:C7 H6 F N O2
SMILES:Fc1cccc(C(=O)O)c1N
InChi:InChI=1S/C7H6FNO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,9H2,(H,10,11)
Synonyms:3-fluoroanthranilate
Definition date:2014-02-05
Last modified:2021-03-01
Release date:2014-04-23
Identifier:2-amino-3-fluorobenzoic acid
3F2
3F2
Name:N,N'-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]biphenyl-4,4'-dicarboxamide
Formula:C32 H28 N6 O2
SMILES:O=C(Nc2cc(C1=NCCN1)ccc2)c3ccc(cc3)c4ccc(cc4)C(=O)Nc5cccc(c5)C6=NCCN6
InChi:InChI=1S/C32H28N6O2/c39-31(37-27-5-1-3-25(19-27)29-33-15-16-34-29)23-11-7-21(8-12-23)22-9-13-24(14-10-22)32(40)38-28-6-2-4-26(20-28)30-35-17-18-36-30/h1-14,19-20H,15-18H2,(H,33,34)(H,35,36)(H,37,39)(H,38,40)
Synonyms:BPH-1358
Definition date:2014-08-05
Last modified:2021-03-01
Release date:2015-02-04
Identifier:N,N'-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]biphenyl-4,4'-dicarboxamide
LG5
LG5
Name:1-METHYL-1,6-DIHYDROPYRIDIN-3-AMINE
Formula:C6 H10 N2
SMILES:NC=1C=CCN(C=1)C
InChi:InChI=1S/C6H10N2/c1-8-4-2-3-6(7)5-8/h2-3,5H,4,7H2,1H3
Synonyms:1-METHYL-1-LAMBDA-5-PYRIDIN-3-YL-AMINE
Definition date:2005-11-10
Last modified:2021-03-01
Identifier:1-methyl-1,6-dihydropyridin-3-amine
LG9
LG9
Name:(1R,2R,3R,6R,7R,7AR)-3,7-BIS(HYDROXYMETHYL)HEXAHYDRO-1H-PYRROLIZINE-1,2,6-TRIOL
Formula:C9 H17 N O5
SMILES:OC2C(C1N(C(C(O)C1O)CO)C2)CO
InChi:InChI=1S/C9H17NO5/c11-2-4-6(13)1-10-5(3-12)8(14)9(15)7(4)10/h4-9,11-15H,1-3H2/t4-,5-,6+,7-,8-,9-/m1/s1
Synonyms:CASUARINE ANALOGUE
Definition date:2009-11-17
Last modified:2021-03-01
Identifier:(1R,2R,3R,6R,7R,7aR)-3,7-bis(hydroxymethyl)hexahydro-1H-pyrrolizine-1,2,6-triol
3FA
3FA
Name:3-FLUOROBENZENE-1,2-DIOL
Formula:C6 H5 F O2
SMILES:Fc1cccc(O)c1O
InChi:InChI=1S/C6H5FO2/c7-4-2-1-3-5(8)6(4)9/h1-3,8-9H
Synonyms:3-FLUOROCATECHOL
Definition date:2005-09-06
Last modified:2021-03-01
Identifier:3-fluorobenzene-1,2-diol
LGN
LGN
Name:N-[(2S,3R,4E)-1-{[alpha-D-galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide
Formula:C62 H117 N O18
SMILES:O=C(NC(COC3OC(C(OC2OC(CO)C(O)C(OC1OC(CO)C(O)C(O)C1O)C2O)C(O)C3O)CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCC
InChi:InChI=1S/C62H117NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-50(68)63-45(46(67)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)44-76-60-56(74)54(72)58(49(43-66)79-60)80-62-57(75)59(52(70)48(42-65)78-62)81-61-55(73)53(71)51(69)47(41-64)77-61/h37,39,45-49,51-62,64-67,69-75H,3-36,38,40-44H2,1-2H3,(H,63,68)/b39-37+/t45-,46+,47+,48+,49+,51-,52-,53-,54+,55+,56+,57+,58+,59-,60+,61+,62-/m0/s1
Synonyms:Isoglobotrihexosylceramide
Definition date:2011-05-13
Last modified:2021-03-01
Identifier:N-[(2S,3R,4E)-1-{[alpha-D-galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide
3FQ
3FQ
Name:(2S)-1-(DIMETHYLAMINO)-3-{4-[(6-{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENOXY}PROPAN-2-OL
Formula:C22 H25 F4 N5 O3
SMILES:FC(F)(F)c1cc(c(F)cc1)NC3(O)N=CNC(Nc2ccc(OCC(O)CN(C)C)cc2)=C3
InChi:InChI=1S/C22H25F4N5O3/c1-31(2)11-16(32)12-34-17-6-4-15(5-7-17)29-20-10-21(33,28-13-27-20)30-19-9-14(22(24,25)26)3-8-18(19)23/h3-10,13,16,29-30,32-33H,11-12H2,1-2H3,(H,27,28)/t16-,21+/m0/s1
Synonyms:1-(DIMETHYLAMINO)-3-{4-[(6-{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENOXY}PROPAN-2-OL
Definition date:2002-06-11
Last modified:2021-03-01
Identifier:(4S)-6-[(4-{[(2S)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]-4-{[2-fluoro-5-(trifluoromethyl)phenyl]amino}-1,4-dihydropyrimidin-4-ol
3GB
3GB
Name:N-[(2S,3R,4E)-1-{[alpha-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide
Formula:C62 H117 N O18
SMILES:O=C(NC(C(O)/C=C/CCCCCCCCCCCCC)COC3OC(C(OC2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO)C(O)C3O)CO)CCCCCCCCCCCCCCCCCCCCCCCCC
InChi:InChI=1S/C62H117NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-50(68)63-45(46(67)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)44-76-60-56(74)53(71)58(48(42-65)78-60)81-62-57(75)54(72)59(49(43-66)79-62)80-61-55(73)52(70)51(69)47(41-64)77-61/h37,39,45-49,51-62,64-67,69-75H,3-36,38,40-44H2,1-2H3,(H,63,68)/b39-37+/t45-,46+,47+,48+,49+,51-,52-,53+,54+,55+,56+,57+,58+,59-,60+,61+,62-/m0/s1
Synonyms:Globotrihexosylceramide
Definition date:2011-08-04
Last modified:2021-03-01
Identifier:N-[(2S,3R,4E)-1-{[alpha-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide
LHP
LHP
Name:(3beta,5beta,9beta)-3-(propanoyloxy)cholan-24-oic acid
Formula:C27 H44 O4
SMILES:O=C(O)CCC(C4C3(C(C2C(C1(CCC(OC(=O)CC)CC1CC2)C)CC3)CC4)C)C
InChi:InChI=1S/C27H44O4/c1-5-25(30)31-19-12-14-26(3)18(16-19)7-8-20-22-10-9-21(17(2)6-11-24(28)29)27(22,4)15-13-23(20)26/h17-23H,5-16H2,1-4H3,(H,28,29)/t17-,18-,19-,20+,21-,22+,23+,26+,27-/m1/s1
Synonyms:Lithocholic acid propionate
Definition date:2013-02-08
Last modified:2021-03-01
Release date:2013-06-26
Identifier:(3beta,5beta,9beta)-3-(propanoyloxy)cholan-24-oic acid
LHZ
LHZ
Name:(6~{R})-7-[[3,4-bis(fluoranyl)phenyl]methyl]-6-(methoxymethyl)-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
Formula:C24 H24 F2 N8 O2
SMILES:COC[CH]1Cn2cc(nc2C(=O)N1Cc3ccc(F)c(F)c3)c4nc(Nc5ccnn5C)ncc4C
InChi:InChI=1S/C24H24F2N8O2/c1-14-9-27-24(30-20-6-7-28-32(20)2)31-21(14)19-12-33-11-16(13-36-3)34(23(35)22(33)29-19)10-15-4-5-17(25)18(26)8-15/h4-9,12,16H,10-11,13H2,1-3H3,(H,27,30,31)/t16-/m1/s1
Synonyms:AZD0364
Definition date:2019-08-19
Last modified:2021-03-01
Release date:2019-11-20
Identifier:(6~{R})-7-[[3,4-bis(fluoranyl)phenyl]methyl]-6-(methoxymethyl)-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
LI1
LI1
Name:1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL
Formula:C42 H86 O3
SMILES:OCC(OCCC(CCCC(CCCCCCCC(C)C)C)C)COCCC(C)CCCC(C)CCCC(C)CCCC(C)C
InChi:InChI=1S/C42H86O3/c1-35(2)19-13-11-10-12-14-21-37(5)23-17-28-41(9)30-32-45-42(33-43)34-44-31-29-40(8)27-18-26-39(7)25-16-24-38(6)22-15-20-36(3)4/h35-43H,10-34H2,1-9H3/t37-,38+,39?,40+,41-,42-/m1/s1
Synonyms:LIPID FRAGMENT
Definition date:1999-09-16
Last modified:2021-03-01
Identifier:(2R)-3-{[(3S,7R,11S)-3,7,11,15-tetramethylhexadecyl]oxy}-2-{[(3R,7R)-3,7,15-trimethylhexadecyl]oxy}propan-1-ol
3H1
3H1
Name:3-chloro-4,6-dihydroxy-2-methyl-5-{(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dien-1-yl}benzaldehyde
Formula:C23 H29 Cl O4
SMILES:O=Cc1c(O)c(c(O)c(Cl)c1C)C/C=C(/C=C/C2(C)C(C(=O)CCC2C)C)C
InChi:InChI=1S/C23H29ClO4/c1-13(10-11-23(5)14(2)7-9-19(26)16(23)4)6-8-17-21(27)18(12-25)15(3)20(24)22(17)28/h6,10-12,14,16,27-28H,7-9H2,1-5H3/b11-10+,13-6+/t14-,16+,23+/m1/s1
Synonyms:ASCOCHLORIN
Definition date:2009-04-13
Last modified:2021-03-01
Identifier:3-chloro-4,6-dihydroxy-2-methyl-5-{(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dien-1-yl}benzaldehyde
LIH
LIH
Name:6-([5-QUINOLYLAMINO]METHYL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE
Formula:C18 H17 N7
SMILES:n1cc(c(c2c1nc(nc2N)N)C)CNc4c3cccnc3ccc4
InChi:InChI=1S/C18H17N7/c1-10-11(9-23-17-15(10)16(19)24-18(20)25-17)8-22-14-6-2-5-13-12(14)4-3-7-21-13/h2-7,9,22H,8H2,1H3,(H4,19,20,23,24,25)
Synonyms:SRI-9439
Definition date:2002-01-07
Last modified:2021-03-01
Identifier:5-methyl-6-[(quinolin-5-ylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
LII
LII
Name:(Z)-6-(2-[2,5-DIMETHOXYPHENYL]ETHEN-1-YL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE
Formula:C18 H19 N5 O2
SMILES:n1cc(c(c2c1nc(nc2N)N)C)/C=Cc3cc(OC)ccc3OC
InChi:InChI=1S/C18H19N5O2/c1-10-12(9-21-17-15(10)16(19)22-18(20)23-17)5-4-11-8-13(24-2)6-7-14(11)25-3/h4-9H,1-3H3,(H4,19,20,21,22,23)/b5-4-
Synonyms:SRI-9662
Definition date:2002-01-07
Last modified:2021-03-01
Identifier:6-[(Z)-2-(2,5-dimethoxyphenyl)ethenyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
3HG
3HG
Name:3-HYDROXYPENTANEDIOIC ACID
Formula:C5 H8 O5
SMILES:O=C(O)CC(O)CC(=O)O
InChi:InChI=1S/C5H8O5/c6-3(1-4(7)8)2-5(9)10/h3,6H,1-2H2,(H,7,8)(H,9,10)
Synonyms:3-HYDROXYGLUTARIC ACID
Definition date:2005-06-22
Last modified:2021-03-01
Identifier:3-hydroxypentanedioic acid
3IL
3IL
Name:3-(INDOL-3-YL) LACTATE
Formula:C11 H11 N O3
SMILES:O=C(O)C(O)Cc2c1ccccc1nc2
InChi:InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)/t10-/m0/s1
Synonyms:(2S)-2-HYDROXY-3-(1H-INDOL-3-YL)PROPANOIC ACID
Definition date:2005-09-07
Last modified:2021-03-01
Identifier:(2S)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid
3IT
3IT
Name:2-hydroxy-3-(prop-1-en-2-yl)cyclohepta-2,4,6-trien-1-one
Formula:C10 H10 O2
SMILES:C=C(/C)C=1C=CC=CC(=O)C=1O
InChi:InChI=1S/C10H10O2/c1-7(2)8-5-3-4-6-9(11)10(8)12/h3-6H,1H2,2H3,(H,11,12)
Synonyms:3-isopropenyl-tropolone
Definition date:2015-03-20
Last modified:2021-03-01
Release date:2015-10-21
Identifier:2-hydroxy-3-(prop-1-en-2-yl)cyclohepta-2,4,6-trien-1-one
3JN
3JN
Name:3-[(1E)-3-carboxyprop-1-en-1-yl]benzene-1,2-dicarboxylic acid
Formula:C12 H10 O6
SMILES:O=C(O)C/C=C/c1cccc(C(=O)O)c1C(=O)O
InChi:InChI=1S/C12H10O6/c13-9(14)6-2-4-7-3-1-5-8(11(15)16)10(7)12(17)18/h1-5H,6H2,(H,13,14)(H,15,16)(H,17,18)/b4-2+
Synonyms:3-carboxy-propenyl-phthalic acid
Definition date:2014-08-27
Last modified:2021-03-01
Release date:2014-12-10
Identifier:3-[(1E)-3-carboxyprop-1-en-1-yl]benzene-1,2-dicarboxylic acid
LKP
LKP
Name:trans-4-{(1R)-2-[(5S)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl}cyclohexan-1-ol
Formula:C18 H21 F N2 O2
SMILES:c23C(CC(O)C1CCC(CC1)O)n4c(c2cccc3F)cnc4
InChi:InChI=1S/C18H21FN2O2/c19-14-3-1-2-13-16-9-20-10-21(16)15(18(13)14)8-17(23)11-4-6-12(22)7-5-11/h1-3,9-12,15,17,22-23H,4-8H2/t11-,12-,15-,17+/m0/s1
Synonyms:Navoximod
Definition date:2019-02-27
Last modified:2021-03-01
Release date:2019-07-17
Identifier:trans-4-{(1R)-2-[(5S)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl}cyclohexan-1-ol
3K5
3K5
Name:3-O-acetyl-2-O-(3-O-acetyl-6-deoxy-beta-D-glucopyranosyl)-6-deoxy-1-O-{[(2R,2'S,3a'R,4''S,5''R,6'S,7a'S)-5''-methyl-4''-{[(2E)-3-phenylprop-2-enoyl]oxy}decahydrodispiro[oxirane-2,3'-[1]benzofuran-2',2''-pyran]-6'-yl]carbonyl}-beta-D-glucopyranose
Formula:C40 H52 O17
SMILES:O=C(OC1C(O)C(OC(C)C1O)OC7C(OC(=O)C)C(O)C(OC7OC(=O)C6CCC5C(OC3(OCC(C(OC(=O)C=Cc2ccccc2)C3)C)C54OC4)C6)C)C
InChi:InChI=1S/C40H52O17/c1-19-17-48-40(16-28(19)54-29(43)14-11-24-9-7-6-8-10-24)39(18-49-39)26-13-12-25(15-27(26)57-40)36(47)56-38-35(34(53-23(5)42)31(45)21(3)51-38)55-37-32(46)33(52-22(4)41)30(44)20(2)50-37/h6-11,14,19-21,25-28,30-35,37-38,44-46H,12-13,15-18H2,1-5H3/b14-11+/t19-,20-,21-,25+,26-,27+,28+,30-,31-,32-,33+,34+,35-,37+,38+,39+,40+/m1/s1
Synonyms:Phyllanthoside
Definition date:2014-08-29
Last modified:2021-03-01
Release date:2014-10-22
Identifier:3-O-acetyl-2-O-(3-O-acetyl-6-deoxy-beta-D-glucopyranosyl)-6-deoxy-1-O-{[(2R,2'S,3a'R,4''S,5''R,6'S,7a'S)-5''-methyl-4''-{[(2E)-3-phenylprop-2-enoyl]oxy}decahydrodispiro[oxirane-2,3'-[1]benzofuran-2',2''-pyran]-6'-yl]carbonyl}-beta-D-glucopyranose
LLO
LLO
Name:N~6~-[(1S)-3-hydroxy-1,3-dimethylbutyl]-L-lysine
Formula:C12 H26 N2 O3
SMILES:O=C(O)C(N)CCCCNC(CC(O)(C)C)C
InChi:InChI=1S/C12H26N2O3/c1-9(8-12(2,3)17)14-7-5-4-6-10(13)11(15)16/h9-10,14,17H,4-8,13H2,1-3H3,(H,15,16)/t9-,10-/m0/s1
Synonyms:4-Hydroxy-4-Methyl-2-Pentanone
Definition date:2010-07-20
Last modified:2021-03-01
Identifier:N~6~-[(2S)-4-hydroxy-4-methylpentan-2-yl]-L-lysine
LMD
LMD
Name:tetradecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside
Formula:C26 H50 O11
SMILES:O(CCCCCCCCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO
InChi:InChI=1S/C26H50O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-34-25-23(33)21(31)24(18(16-28)36-25)37-26-22(32)20(30)19(29)17(15-27)35-26/h17-33H,2-16H2,1H3/t17-,18-,19-,20+,21-,22-,23-,24-,25-,26-/m1/s1
Synonyms:n-Tetradecyl-b-D-maltopyranosid
Definition date:2012-06-06
Last modified:2021-03-01
Release date:2012-08-24
Identifier:tetradecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside
LMR
LMR
Name:(2S)-2-hydroxybutanedioic acid
Formula:C4 H6 O5
SMILES:O=C(O)CC(O)C(=O)O
InChi:InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1
Synonyms:L-Malate
Definition date:2008-03-24
Last modified:2021-03-01
Identifier:(2S)-2-hydroxybutanedioic acid

223790

數據於2024-08-14公開中

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