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LOR
LOR
Name:LORACABEF (Open form)
Formula:C16 H18 Cl N3 O4
SMILES:O=C(O)C2=NC(C(NC(=O)C(c1ccccc1)N)C=O)CCC2Cl
InChi:InChI=1S/C16H18ClN3O4/c17-10-6-7-11(19-14(10)16(23)24)12(8-21)20-15(22)13(18)9-4-2-1-3-5-9/h1-5,8,10-13H,6-7,18H2,(H,20,22)(H,23,24)/t10-,11+,12+,13+/m0/s1
Synonyms:(3S,6R)-6-[(1S)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-3-chloro-3,4,5,6-tetrahydropyridine-2-carboxylic acid
Definition date:2000-08-11
Last modified:2020-06-17
Identifier:(3S,6R)-6-[(1S)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-3-chloro-3,4,5,6-tetrahydropyridine-2-carboxylic acid
LPA
LPA
Name:LIPOIC ACID
Formula:C8 H14 O2 S2
SMILES:O=C(O)CCCCC1SSCC1
InChi:InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m1/s1
Synonyms:5-[(3R)-1,2-dithiolan-3-yl]pentanoic acid
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:5-[(3R)-1,2-dithiolan-3-yl]pentanoic acid
LPE
LPE
Name:1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE
Formula:C26 H57 N O6 P
SMILES:O=P(OCC(O)COCCCCCCCCCCCCCCCCCC)(OCC[N+](C)(C)C)O
InChi:InChI=1S/C26H56NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-24-26(28)25-33-34(29,30)32-23-21-27(2,3)4/h26,28H,5-25H2,1-4H3/p+1/t26-/m1/s1
Synonyms:LPC-ETHER
Definition date:2002-03-29
Last modified:2020-06-17
Identifier:(4S,7R)-4,7-dihydroxy-N,N,N-trimethyl-3,5,9-trioxa-4-phosphaheptacosan-1-aminium 4-oxide
LPP
LPP
Name:2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE
Formula:C35 H69 O8 P
SMILES:O=P(O)(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)O
InChi:InChI=1S/C35H69O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3,(H2,38,39,40)/t33-/m1/s1
Synonyms:1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE
Definition date:2000-12-14
Last modified:2020-06-17
Identifier:(2R)-3-(phosphonooxy)propane-1,2-diyl dihexadecanoate
LPR
LPR
Name:[N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-L-LYSYL-L-PROLINE
Formula:C21 H31 N3 O5
SMILES:O=C(O)C2N(C(=O)C(NC(C(=O)O)CCc1ccccc1)CCCCN)CCC2
InChi:InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1
Synonyms:LISINOPRIL
Definition date:2002-11-25
Last modified:2020-06-17
Identifier:N~2~-[(1S)-1-carboxy-3-phenylpropyl]-L-lysyl-L-proline
7JG
7JG
Name:5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one
Formula:C20 H12 F2 N2 O2
SMILES:Oc1cc(c2ccc(F)cc2)c(c3ccc(F)cc3)c4C(=O)NC=Nc14
InChi:InChI=1S/C20H12F2N2O2/c21-13-5-1-11(2-6-13)15-9-16(25)19-18(20(26)24-10-23-19)17(15)12-3-7-14(22)8-4-12/h1-10,25H,(H,23,24,26)
Synonyms:5,6-bis(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one
Definition date:2016-11-02
Last modified:2020-06-17
Release date:2017-11-22
Identifier:5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one
7JJ
7JJ
Name:5-chloranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one
Formula:C14 H8 Cl F N2 O2
SMILES:Oc1cc(c(Cl)c2C(=O)NC=Nc12)c3ccc(F)cc3
InChi:InChI=1S/C14H8ClFN2O2/c15-12-9(7-1-3-8(16)4-2-7)5-10(19)13-11(12)14(20)18-6-17-13/h1-6,19H,(H,17,18,20)
Synonyms:5-chloro-6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one
Definition date:2016-11-02
Last modified:2020-06-17
Release date:2017-11-22
Identifier:5-chloranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one
7JK
7JK
Name:6-[3-methyl-5-(4-methylpiperazin-1-yl)carbonyl-thiophen-2-yl]-8-oxidanyl-3~{H}-quinazolin-4-one
Formula:C19 H20 N4 O3 S
SMILES:CN1CCN(CC1)C(=O)c2sc(c(C)c2)c3cc(O)c4N=CNC(=O)c4c3
InChi:InChI=1S/C19H20N4O3S/c1-11-7-15(19(26)23-5-3-22(2)4-6-23)27-17(11)12-8-13-16(14(24)9-12)20-10-21-18(13)25/h7-10,24H,3-6H2,1-2H3,(H,20,21,25)
Synonyms:8-hydroxy-6-[3-methyl-5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl]-3H-quinazolin-4-one
Definition date:2016-11-02
Last modified:2020-06-17
Release date:2017-11-22
Identifier:6-[3-methyl-5-(4-methylpiperazin-1-yl)carbonyl-thiophen-2-yl]-8-oxidanyl-3~{H}-quinazolin-4-one
7JP
7JP
Name:6-(4-fluorophenyl)-8-oxidanyl-3-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl)quinazolin-4-one
Formula:C26 H23 F N4 O2
SMILES:Oc1cc(cc2C(=O)N(CCCCCn3ccc4cnccc34)C=Nc12)c5ccc(F)cc5
InChi:InChI=1S/C26H23FN4O2/c27-21-6-4-18(5-7-21)20-14-22-25(24(32)15-20)29-17-31(26(22)33)12-3-1-2-11-30-13-9-19-16-28-10-8-23(19)30/h4-10,13-17,32H,1-3,11-12H2
Synonyms:6-(4-fluorophenyl)-8-hydroxy-3-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl)quinazolin-4-one
Definition date:2016-11-02
Last modified:2020-06-17
Release date:2017-11-22
Identifier:6-(4-fluorophenyl)-8-oxidanyl-3-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl)quinazolin-4-one
7JR
7JR
Name:1-methyl-3-oxidanyl-5-phenyl-pyridin-2-one
Formula:C12 H11 N O2
SMILES:CN1C=C(C=C(O)C1=O)c2ccccc2
InChi:InChI=1S/C12H11NO2/c1-13-8-10(7-11(14)12(13)15)9-5-3-2-4-6-9/h2-8,14H,1H3
Synonyms:3-hydroxy-1-methyl-5-phenylpyridin-2-one
Definition date:2016-11-02
Last modified:2020-06-17
Release date:2017-11-22
Identifier:1-methyl-3-oxidanyl-5-phenyl-pyridin-2-one
LQT
LQT
Name:2-[[[2-[2-(dimethylamino)ethyl-ethyl-amino]-2-oxidanylidene-ethyl]amino]methyl]pyridine-4-carboxamide
Formula:C15 H25 N5 O2
SMILES:CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O
InChi:InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)
Synonyms:KDOAM25A
Definition date:2015-06-02
Last modified:2020-06-17
Release date:2015-07-07
Identifier:2-[[[2-[2-(dimethylamino)ethyl-ethyl-amino]-2-oxidanylidene-ethyl]amino]methyl]pyridine-4-carboxamide
7KP
7KP
Name:(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[3-[(~{E})-2-(4-hydroxyphenyl)ethenyl]-5-oxidanyl-phenoxy]oxane-3,4 ,5-triol
Formula:C20 H22 O8
SMILES:OC[CH]1O[CH](Oc2cc(O)cc(C=Cc3ccc(O)cc3)c2)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+/t16-,17-,18+,19-,20+/m1/s1
Synonyms:glycosylated resveratrol
Definition date:2016-11-05
Last modified:2020-06-17
Release date:2017-12-20
Identifier:(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[3-[(~{E})-2-(4-hydroxyphenyl)ethenyl]-5-oxidanyl-phenoxy]oxane-3,4,5-triol
7LB
7LB
Name:(E,2S)-N-methyl-5-(5-phenoxy-3-pyridyl)pent-4-en-2-amine
Formula:C17 H20 N2 O
SMILES:CNC(C[C@H]=Cc1cncc(c1)Oc2ccccc2)C
InChi:InChI=1S/C17H20N2O/c1-14(18-2)7-6-8-15-11-17(13-19-12-15)20-16-9-4-3-5-10-16/h3-6,8-14,18H,7H2,1-2H3/b8-6+/t14-/m0/s1
Synonyms:(2S,4E)-N-methyl-5-(5-phenoxypyridin-3-yl)pent-4-en-2-amine
Definition date:2016-11-09
Last modified:2020-06-17
Release date:2016-11-30
Identifier:(2S,4E)-N-methyl-5-(5-phenoxypyridin-3-yl)pent-4-en-2-amine
LSA
LSA
Name:1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE
Formula:C7 H5 N O3 S
SMILES:O=C2c1ccccc1S(=O)(=O)N2
InChi:InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
Synonyms:SACCHARIN
Definition date:2007-06-05
Last modified:2020-06-17
Identifier:1,2-benzisothiazol-3(2H)-one 1,1-dioxide
588
588
Name:2-{[2-(2-CARBAMOYL-VINYL)-4-(2-METHANESULFONYLAMINO-2-PENTYLCARBAMOYL-ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID
Formula:C27 H32 N4 O9 S
SMILES:O=C(N(c1ccc(cc1C=CC(=O)N)CC(C(=O)NCCCCC)NS(=O)(=O)C)c2ccccc2C(=O)O)C(=O)O
InChi:InChI=1S/C27H32N4O9S/c1-3-4-7-14-29-24(33)20(30-41(2,39)40)16-17-10-12-21(18(15-17)11-13-23(28)32)31(25(34)27(37)38)22-9-6-5-8-19(22)26(35)36/h5-6,8-13,15,20,30H,3-4,7,14,16H2,1-2H3,(H2,28,32)(H,29,33)(H,35,36)(H,37,38)/b13-11+/t20-/m0/s1
Synonyms:COMPOUND 17
Definition date:2003-03-17
Last modified:2020-06-17
Identifier:2-[{2-[(1E)-3-amino-3-oxoprop-1-en-1-yl]-4-[(2S)-2-[(methylsulfonyl)amino]-3-oxo-3-(pentylamino)propyl]phenyl}(carboxycarbonyl)amino]benzoic acid
LSM
LSM
Name:dodecyl 4-O-alpha-D-glucopyranosyl-1-seleno-beta-D-glucopyranoside
Formula:C24 H46 O10 Se
SMILES:O(C1C(OC([Se]CCCCCCCCCCCC)C(O)C1O)CO)C2OC(C(O)C(O)C2O)CO
InChi:InChI=1S/C24H46O10Se/c1-2-3-4-5-6-7-8-9-10-11-12-35-24-21(31)19(29)22(16(14-26)33-24)34-23-20(30)18(28)17(27)15(13-25)32-23/h15-31H,2-14H2,1H3/t15-,16-,17-,18+,19-,20-,21-,22-,23-,24+/m1/s1
Synonyms:DODECYL-BETA-D-SELENOMALTOSIDE
Definition date:2011-08-09
Last modified:2020-06-17
Identifier:dodecyl 4-O-alpha-D-glucopyranosyl-1-seleno-beta-D-glucopyranoside
58P
58P
Name:1-[(2S)-2,3-dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1 H-indole-2-carbonitrile
Formula:C26 H27 F3 N6 O2 S
SMILES:c45c(c(NC1CCN(CC1)Cc2cc3c(cc2)n(c(c3)C#N)CC(O)CO)ncn4)cc(CC(F)(F)F)s5
InChi:InChI=1S/C26H27F3N6O2S/c27-26(28,29)10-21-9-22-24(31-15-32-25(22)38-21)33-18-3-5-34(6-4-18)12-16-1-2-23-17(7-16)8-19(11-30)35(23)13-20(37)14-36/h1-2,7-9,15,18,20,36-37H,3-6,10,12-14H2,(H,31,32,33)/t20-/m0/s1
Synonyms:MI-352
Definition date:2015-08-21
Last modified:2020-06-17
Release date:2016-03-30
Identifier:1-[(2S)-2,3-dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile
58R
58R
Name:2-{2-cyano-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indol-1-yl}aceta mide
Formula:C25 H24 F3 N7 O S
SMILES:c12sc(CC(F)(F)F)cc1c(ncn2)NC3CCN(CC3)Cc4ccc5n(c(cc5c4)C#N)CC(=O)N
InChi:InChI=1S/C25H24F3N7OS/c26-25(27,28)10-19-9-20-23(31-14-32-24(20)37-19)33-17-3-5-34(6-4-17)12-15-1-2-21-16(7-15)8-18(11-29)35(21)13-22(30)36/h1-2,7-9,14,17H,3-6,10,12-13H2,(H2,30,36)(H,31,32,33)
Synonyms:MI-389
Definition date:2015-08-21
Last modified:2020-06-17
Release date:2016-03-30
Identifier:2-{2-cyano-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indol-1-yl}acetamide
LTT
LTT
Name:4-AMINO-1-[(2S,4S)-2-(HYDROXYMETHYL)-1,3-DIOXOLAN-4-YL]PYRIMIDIN-2(1H)-ONE
Formula:C8 H11 N3 O4
SMILES:O=C1N=C(N)C=CN1C2OC(OC2)CO
InChi:InChI=1S/C8H11N3O4/c9-5-1-2-11(8(13)10-5)6-4-14-7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7-/m0/s1
Synonyms:(-)-L-2',3'-DIDEOXY-3'-OXACYTIDINE
Definition date:2006-10-26
Last modified:2020-06-17
Identifier:4-amino-1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2(1H)-one
LTX
LTX
Name:(5~{S},6~{R},7~{E},9~{E},11~{Z},14~{Z})-6-[(2~{R})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-( 2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfanyl-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid
Formula:C30 H47 N3 O9 S
SMILES:CCCCCC=CCC=CC=CC=C[CH](SC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O)[CH](O)CCCC(O)=O
InChi:InChI=1S/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6-,10-9-,12-11+,16-13+/t22-,23-,24-,25+/m0/s1
Synonyms:Leukotriene C4
Definition date:2016-01-04
Last modified:2020-06-17
Release date:2016-05-11
Identifier:(5~{S},6~{R},7~{E},9~{E},11~{Z},14~{Z})-6-[(2~{R})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-(2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfanyl-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid
59Q
59Q
Name:4-{4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
Formula:C15 H13 F5 N6 S2
SMILES:c12ncnc(c1cc(CC(F)(F)F)s2)N3CCN(CC3)c4nnc(s4)C(F)F
InChi:InChI=1S/C15H13F5N6S2/c16-10(17)13-23-24-14(28-13)26-3-1-25(2-4-26)11-9-5-8(6-15(18,19)20)27-12(9)22-7-21-11/h5,7,10H,1-4,6H2
Synonyms:MI-319
Definition date:2015-08-27
Last modified:2020-06-17
Release date:2015-09-09
Identifier:4-{4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
59V
59V
Name:6-(2,2,2-trifluoroethyl)-4-{4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}thieno[2,3-d]pyrimidine
Formula:C15 H12 F6 N6 S2
SMILES:c12ncnc(c1cc(CC(F)(F)F)s2)N3CCN(CC3)c4nnc(s4)C(F)(F)F
InChi:InChI=1S/C15H12F6N6S2/c16-14(17,18)6-8-5-9-10(22-7-23-11(9)28-8)26-1-3-27(4-2-26)13-25-24-12(29-13)15(19,20)21/h5,7H,1-4,6H2
Synonyms:MI-352
Definition date:2015-08-27
Last modified:2020-06-17
Release date:2016-07-06
Identifier:6-(2,2,2-trifluoroethyl)-4-{4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}thieno[2,3-d]pyrimidine
LU2
LU2
Name:2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one
Formula:C15 H10 O6
SMILES:O=C1c3c(OC(=C1)c2ccc(O)c(O)c2)cc(O)cc3O
InChi:InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
Synonyms:Luteolin
Definition date:2011-07-20
Last modified:2020-06-17
Identifier:2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one
59X
59X
Name:4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(2-fluoroethyl)thieno[2,3-d]pyrimidine
Formula:C17 H22 F N5 S2
SMILES:c12sc(CCF)cc1c(ncn2)N3CCN(CC3)C=4SC(C)(C)CN=4
InChi:InChI=1S/C17H22FN5S2/c1-17(2)10-19-16(25-17)23-7-5-22(6-8-23)14-13-9-12(3-4-18)24-15(13)21-11-20-14/h9,11H,3-8,10H2,1-2H3
Synonyms:MI-836
Definition date:2015-08-27
Last modified:2020-06-17
Release date:2015-09-09
Identifier:4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(2-fluoroethyl)thieno[2,3-d]pyrimidine
LU7
LU7
Name:N~1~-{5-[(3-{[3-(L-arginylamino)propyl]amino}propyl)amino]pentyl}-N~2~-[(2,4-dihydroxyphenyl)acetyl]-L-aspartamide
Formula:C29 H52 N10 O6
SMILES:Oc1cc(O)ccc1CC(=O)NC(CC(N)=O)C(=O)NCCCCCNCCCNCCCNC(=O)C(N)CCCNC(=N)N
InChi:InChI=1S/C29H52N10O6/c30-22(7-4-15-38-29(32)33)27(44)36-16-6-13-35-12-5-11-34-10-2-1-3-14-37-28(45)23(19-25(31)42)39-26(43)17-20-8-9-21(40)18-24(20)41/h8-9,18,22-23,34-35,40-41H,1-7,10-17,19,30H2,(H2,31,42)(H,36,44)(H,37,45)(H,39,43)(H4,32,33,38)/t22-,23-/m0/s1
Synonyms:Argiotoxin 636
Definition date:2019-03-14
Last modified:2020-06-17
Release date:2019-03-20
Identifier:N~1~-{5-[(3-{[3-(L-arginylamino)propyl]amino}propyl)amino]pentyl}-N~2~-[(2,4-dihydroxyphenyl)acetyl]-L-aspartamide

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數據於2024-07-17公開中

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