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LHZ
LHZ
表記:(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
組成式: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
別名:AZD0364
定義日:2019-08-19
最終更新日:2021-03-01
公開日:2019-11-20
識別子（ID）:(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
表記:1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL
組成式: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
別名:LIPID FRAGMENT
定義日:1999-09-16
最終更新日:2021-03-01
識別子（ID）:(2R)-3-{[(3S,7R,11S)-3,7,11,15-tetramethylhexadecyl]oxy}-2-{[(3R,7R)-3,7,15-trimethylhexadecyl]oxy}propan-1-ol
LIH
LIH
表記:6-([5-QUINOLYLAMINO]METHYL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE
組成式: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)
別名:SRI-9439
定義日:2002-01-07
最終更新日:2021-03-01
識別子（ID）:5-methyl-6-[(quinolin-5-ylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
LII
LII
表記:(Z)-6-(2-[2,5-DIMETHOXYPHENYL]ETHEN-1-YL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE
組成式: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-
別名:SRI-9662
定義日:2002-01-07
最終更新日:2021-03-01
識別子（ID）:6-[(Z)-2-(2,5-dimethoxyphenyl)ethenyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
LXL
LXL
表記:1-ethyl-3-[2-methoxy-4-(5-methyl-4-{[(1S)-1-(pyridin-3-yl)butyl]amino}pyrimidin-2-yl)phenyl]urea
組成式:C24 H30 N6 O2
SMILES:CCNC(=O)Nc1ccc(cc1OC)c2ncc(C)c(n2)NC(CCC)c3cnccc3
InChi:InChI=1S/C24H30N6O2/c1-5-8-19(18-9-7-12-25-15-18)28-22-16(3)14-27-23(30-22)17-10-11-20(21(13-17)32-4)29-24(31)26-6-2/h7,9-15,19H,5-6,8H2,1-4H3,(H2,26,29,31)(H,27,28,30)/t19-/m0/s1
別名:Lexibulin
定義日:2015-08-28
最終更新日:2021-03-01
公開日:2015-11-04
識別子（ID）:1-ethyl-3-[2-methoxy-4-(5-methyl-4-{[(1S)-1-(pyridin-3-yl)butyl]amino}pyrimidin-2-yl)phenyl]urea
LY3
LY3
表記:2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-4-(2H-TETRAZOL-5-YL)-BUTYRIC ACID
組成式:C20 H21 N9 O4
SMILES:O=C(O)C(NC(=O)c1ccc(cc1)CCc2cnc3N=C(NC(=O)c23)N)CCc4nnnn4
InChi:InChI=1S/C20H21N9O4/c21-20-24-16-15(18(31)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(30)23-13(19(32)33)7-8-14-26-28-29-27-14/h1-2,4-5,9,13H,3,6-8H2,(H,23,30)(H,32,33)(H,26,27,28,29)(H4,21,22,24,25,31)/t13-/m0/s1
別名:LY341770
定義日:2001-08-24
最終更新日:2021-03-01
識別子（ID）:(2S)-2-[({4-[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl}carbonyl)amino]-4-(2H-tetrazol-5-yl)butanoic acid
LY9
LY9
表記:L-arabinaric acid
組成式:C5 H8 O7
SMILES:O=C(O)C(O)C(O)C(O)C(=O)O
InChi:InChI=1S/C5H8O7/c6-1(2(7)4(9)10)3(8)5(11)12/h1-3,6-8H,(H,9,10)(H,11,12)/t2-,3-/m1/s1
別名:L-Lyxarate
定義日:2010-09-27
最終更新日:2021-03-01
識別子（ID）:L-arabinaric acid
LYA
LYA
表記:2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID
組成式:C20 H21 N5 O6
SMILES:O=C(O)C(NC(=O)c1ccc(cc1)CCc2cnc3NC(=NC(=O)c23)N)CCC(=O)O
InChi:InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1
別名:LY231514
定義日:2001-08-24
最終更新日:2021-03-01
識別子（ID）:N-({4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl}carbonyl)-L-glutamic acid
8JD
8JD
表記:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (3R)-4-[(3-{[2-(ethylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name)
組成式:C23 H39 N7 O13 P2 S
SMILES:Nc2ncnc3n(C1OC(C(O)C1O)COP(O)(=O)OP(O)(=O)OCC(C)(C(C(NCCC(NCCSCC)=O)=O)O)C)cnc23
InChi:InChI=1S/C23H39N7O13P2S/c1-4-46-8-7-25-14(31)5-6-26-21(35)18(34)23(2,3)10-41-45(38,39)43-44(36,37)40-9-13-16(32)17(33)22(42-13)30-12-29-15-19(24)27-11-28-20(15)30/h11-13,16-18,22,32-34H,4-10H2,1-3H3,(H,25,31)(H,26,35)(H,36,37)(H,38,39)(H2,24,27,28)/t13-,16-,17-,18+,22-/m1/s1
別名:Ethyl Coenzyme A
定義日:2017-02-09
最終更新日:2021-03-01
公開日:2018-03-14
識別子（ID）:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (3R)-4-[(3-{[2-(ethylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name)
8K6
8K6
表記:Octadecane
組成式:C18 H38
SMILES:C(CCCCCCCCCCCCCCCC)C
InChi:InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3
別名:N-Octadecane
定義日:2012-08-07
最終更新日:2021-03-01
公開日:2013-02-08
識別子（ID）:octadecane
8KU
8KU
表記:2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-N-{[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxamide
組成式:C26 H25 Cl N4 O5 S
SMILES:C3(=O)C(O)=C(C(=O)NCC2Cc1ccccc1O2)N=C(N3)C4CCCN4C(CSc5ccccc5Cl)=O
InChi:InChI=1S/C26H25ClN4O5S/c27-17-7-2-4-10-20(17)37-14-21(32)31-11-5-8-18(31)24-29-22(23(33)26(35)30-24)25(34)28-13-16-12-15-6-1-3-9-19(15)36-16/h1-4,6-7,9-10,16,18,33H,5,8,11-14H2,(H,28,34)(H,29,30,35)/t16-,18-/m0/s1
別名:SRI-30027
定義日:2017-07-11
最終更新日:2021-03-01
公開日:2018-01-03
識別子（ID）:2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-N-{[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxamide
M0E
M0E
表記:MOENOMYCIN
組成式:C69 H106 N5 O34 P
SMILES:O=C(NC1=C(O)C=CC1=O)C6OC(OC2C(O)C(NC(=O)C)C(OC2C)OC4C(OC(OC3C(OC(=O)N)C(O)(C)C(OC3OP(=O)(O)OCC(OCC=C(/C)CC/C=C/C(C)(C)CCC(=C)/CC=C(/C)CCC=C(/C)C)C(=O)O)C(=O)N)C(NC(=O)C)C4O)COC5OC(C(O)C(O)C5O)CO)C(O)C(O)C6O
InChi:InChI=1S/C69H106N5O34P/c1-30(2)15-14-17-31(3)18-19-33(5)22-25-68(9,10)24-13-12-16-32(4)23-26-96-41(61(90)91)29-98-109(94,95)108-66-56(57(107-67(71)92)69(11,93)58(106-66)59(70)88)105-63-44(73-36(8)77)47(82)54(40(101-63)28-97-64-51(86)48(83)45(80)39(27-75)100-64)103-62-43(72-35(7)76)46(81)53(34(6)99-62)102-65-52(87)49(84)50(85)55(104-65)60(89)74-42-37(78)20-21-38(42)79/h13,15,18,20-21,23-24,34,39-41,43-58,62-66,75,80-87,93H,5,12,14,16-17,19,22,25-29H2,1-4,6-11H3,(H2,70,88)(H2,71,92)(H,72,76)(H,73,77)(H,90,91)(H,94,95)(H2,74,78,79,89)/t34-,39-,40-,41-,43-,44-,45-,46-,47-,48+,49+,50-,51-,52-,53-,54-,55+,56-,57-,58-,62+,63+,64-,65-,66-,69+/m1/s1
別名:MOENOMYCIN
定義日:2007-02-12
最終更新日:2021-03-01
識別子（ID）:(2R)-3-{[(S)-{[(2R,3R,4R,5S,6S)-3-{[(2S,3R,4R,5S,6R)-3-(acetylamino)-5-{[(2S,3R,4R,5S,6R)-3-(acetylamino)-4-hydroxy-6-methyl-5-({(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopenta-1,3-dien-1-yl)carbamoyl]tetrahydro-2H-pyran-2-yl}oxy)tetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}-6-carbamoyl-4-(carbamoyloxy)-5-hydroxy-5-methyltetrahydro-2H-pyran-2-yl]oxy}(hydroxy)phosphoryl]oxy}-2-[(3,8,8,14,18-pentamethyl-11-methylidenenonadeca-2,6,13,17-tetraen-1-yl)oxy]propanoic acid (non-preferred name)
8LX
8LX
表記:(5S)-5-[[4-[2-[[6-(4-methoxyphenoxy)pyrimidin-4-yl]-methyl-amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
組成式:C24 H24 N4 O5 S
SMILES:COc1ccc(Oc2cc(ncn2)N(C)CCOc3ccc(C[CH]4SC(=O)NC4=O)cc3)cc1
InChi:InChI=1S/C24H24N4O5S/c1-28(21-14-22(26-15-25-21)33-19-9-7-17(31-2)8-10-19)11-12-32-18-5-3-16(4-6-18)13-20-23(29)27-24(30)34-20/h3-10,14-15,20H,11-13H2,1-2H3,(H,27,29,30)/t20-/m0/s1
別名:Lobeglitazone
定義日:2017-08-03
最終更新日:2021-03-01
公開日:2017-12-20
識別子（ID）:(5~{S})-5-[[4-[2-[[6-(4-methoxyphenoxy)pyrimidin-4-yl]-methyl-amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
M10
M10
表記:(mu3-oxo)-tris(mu2-oxo)-nonakisoxo-trimolybdenum (VI)
組成式:Mo3 O13
SMILES:[O-][Mo]|12([O-])([O-])O[Mo]3([O-])([O-])([O-])O|1[Mo]([O-])([O-])(=O)(O2)O3
InChi:InChI=1S/3Mo.13O/q
別名:Trimolybdate [Mo(VI)3O13]8-
定義日:2014-05-22
最終更新日:2021-03-01
公開日:2014-08-13
M18
M18
表記:{(2S)-1-[N-(tert-butoxycarbonyl)glycyl]pyrrolidin-2-yl}methyl (3-chlorophenyl)acetate
組成式:C20 H27 Cl N2 O5
SMILES:O=C(N1CCCC1COC(=O)Cc2cccc(Cl)c2)CNC(=O)OC(C)(C)C
InChi:InChI=1S/C20H27ClN2O5/c1-20(2,3)28-19(26)22-12-17(24)23-9-5-8-16(23)13-27-18(25)11-14-6-4-7-15(21)10-14/h4,6-7,10,16H,5,8-9,11-13H2,1-3H3,(H,22,26)/t16-/m0/s1
別名:(3-Chloro-Phenyl)-acetic acid (S)-1-(2-tert-butoxycarbonylamino-acetyl)-pyrrolidin-2-ylmethyl ester
定義日:2008-09-11
最終更新日:2021-03-01
識別子（ID）:{(2S)-1-[N-(tert-butoxycarbonyl)glycyl]pyrrolidin-2-yl}methyl (3-chlorophenyl)acetate
4OA
4OA
表記:(3beta,5beta,14beta,17alpha)-3-hydroxycholan-24-oic acid
組成式:C24 H40 O3
SMILES:O=C(O)CCC(C4C3(C(C2C(C1(CCC(O)CC1CC2)C)CC3)CC4)C)C
InChi:InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1
別名:Lithocholic acid
定義日:2008-12-01
最終更新日:2021-03-01
識別子（ID）:(3beta,5beta,14beta,17alpha)-3-hydroxycholan-24-oic acid
M29
M29
表記:ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE
組成式:C11 H15 N O4 S
SMILES:O=S(=O)(c1ccc(cc1)CCC(=O)OCC)N
InChi:InChI=1S/C11H15NO4S/c1-2-16-11(13)8-5-9-3-6-10(7-4-9)17(12,14)15/h3-4,6-7H,2,5,8H2,1H3,(H2,12,14,15)
別名:4-PROPYL BENZENESULFONAMIDE ETHYL ESTER
定義日:2006-10-30
最終更新日:2021-03-01
識別子（ID）:ethyl 3-(4-sulfamoylphenyl)propanoate
4PI
4PI
表記:N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE
組成式:C20 H23 N O
SMILES:O=C(c1ccc(cc1)C)N3CCC(Cc2ccccc2)CC3
InChi:InChI=1S/C20H23NO/c1-16-7-9-19(10-8-16)20(22)21-13-11-18(12-14-21)15-17-5-3-2-4-6-17/h2-10,18H,11-15H2,1H3
別名:(4-BENZYLPIPERIDIN-1-YL)(P-TOLYL)METHANONE
定義日:2006-11-07
最終更新日:2021-03-01
識別子（ID）:4-benzyl-1-[(4-methylphenyl)carbonyl]piperidine
M3R
M3R
表記:Methyl phosphonated L-Arginine
組成式:C7 H17 N4 O4 P
SMILES:O=P(O)(NC(C(=O)O)CCCNC(=[N@H])N)C
InChi:InChI=1S/C7H17N4O4P/c1-16(14,15)11-5(6(12)13)3-2-4-10-7(8)9/h5H,2-4H2,1H3,(H,12,13)(H4,8,9,10)(H2,11,14,15)/t5-/m0/s1
別名:(2S)-5-carbamimidamido-2-[(hydroxy-methyl-phosphoryl)amino]pentanoic acid
定義日:2009-03-20
最終更新日:2021-03-01
識別子（ID）:N~2~-[(R)-hydroxy(methyl)phosphoryl]-L-arginine
M4M
M4M
表記:1-amino-9,10-dioxo-4-[(4-sulfamoylphenyl)amino]-9,10-dihydroanthracene-2-sulfonic acid
組成式:C20 H15 N3 O7 S2
SMILES:O=S(=O)(N)c1ccc(cc1)Nc4c3C(=O)c2ccccc2C(=O)c3c(c(c4)S(=O)(=O)O)N
InChi:InChI=1S/C20H15N3O7S2/c21-18-15(32(28,29)30)9-14(23-10-5-7-11(8-6-10)31(22,26)27)16-17(18)20(25)13-4-2-1-3-12(13)19(16)24/h1-9,23H,21H2,(H2,22,26,27)(H,28,29,30)
別名:1-amino-4-(4-aminosulfonyl)phenylamino-anthraquinone-2-sulfonic acid
定義日:2011-10-06
最終更新日:2021-03-01
識別子（ID）:1-amino-9,10-dioxo-4-[(4-sulfamoylphenyl)amino]-9,10-dihydroanthracene-2-sulfonic acid
M4O
M4O
表記:(2R)-3-{[(S)-{[(2R,3R,4R,5S,6S)-3-{[(2S,3R,4R,5S,6R)-3-(acetylamino)-5-{[(2S,3R,4R,5S,6R)-3-(acetylamino)-5-{[(2R,3R,4S,5R,6S)-6-carbamoyl-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}-6-carbamoyl-4-(carbamoyloxy)-5-hydroxy-5-methyltetrahydro-2H-pyran-2-yl]oxy}(hydroxy)phosphoryl]oxy}-2-{[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]oxy}propanoic acid
組成式:C49 H80 N5 O32 P
SMILES:O=C(O)C(OC/C=C(/C)CCC=C(/C)C)COP(=O)(O)OC5OC(C(=O)N)C(O)(C)C(OC(=O)N)C5OC4OC(COC1OC(C(O)C(O)C1O)CO)C(OC3OC(C)C(OC2OC(C(=O)N)C(O)C(O)C2O)C(O)C3NC(=O)C)C(O)C4NC(=O)C
InChi:InChI=1S/C49H80N5O32P/c1-16(2)9-8-10-17(3)11-12-74-23(42(68)69)15-76-87(72,73)86-47-37(38(85-48(52)70)49(7,71)39(84-47)41(51)67)83-44-25(54-20(6)57)28(60)35(22(79-44)14-75-45-32(64)29(61)26(58)21(13-55)78-45)81-43-24(53-19(5)56)27(59)34(18(4)77-43)80-46-33(65)30(62)31(63)36(82-46)40(50)66/h9,11,18,21-39,43-47,55,58-65,71H,8,10,12-15H2,1-7H3,(H2,50,66)(H2,51,67)(H2,52,70)(H,53,56)(H,54,57)(H,68,69)(H,72,73)/b17-11-/t18-,21-,22-,23-,24-,25-,26-,27-,28-,29+,30+,31-,32-,33-,34-,35-,36+,37-,38-,39-,43+,44+,45-,46-,47-,49+/m1/s1
別名:Neryl Moenomycin A
定義日:2008-02-28
最終更新日:2021-03-01
識別子（ID）:(2R)-3-{[(S)-{[(2R,3R,4R,5S,6S)-3-{[(2S,3R,4R,5S,6R)-3-(acetylamino)-5-{[(2S,3R,4R,5S,6R)-3-(acetylamino)-5-{[(2R,3R,4S,5R,6S)-6-carbamoyl-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}-6-carbamoyl-4-(carbamoyloxy)-5-hydroxy-5-methyltetrahydro-2H-pyran-2-yl]oxy}(hydroxy)phosphoryl]oxy}-2-{[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]oxy}propanoic acid (non-preferred name)
4S7
4S7
表記:1-{3-[(R)-hydroxy(octadecyloxy)phosphoryl]propyl}triaza-1,2-dien-2-ium
組成式:C21 H45 N3 O3 P
SMILES:C(CP(O)(=O)OCCCCCCCCCCCCCCCCCC)CN=[N+]=N
InChi:InChI=1S/C21H44N3O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-28(25,26)21-18-19-23-24-22/h22H,2-21H2,1H3/p+1
別名:octadecyl hydrogen (R)-(3-azidopropyl)phosphonate
定義日:2015-05-20
最終更新日:2021-03-01
公開日:2016-05-25
識別子（ID）:1-{3-[(R)-hydroxy(octadecyloxy)phosphoryl]propyl}triaza-1,2-dien-2-ium
4T4
4T4
表記:(S)-1-(4-chlorophenyl)-7-isopropoxy-6-methoxy-2-(4-(methyl(((1r,4S)-4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl)methyl)amino)phenyl)-1,2-dihydroisoquinolin-3(4H)-one
組成式:C38 H47 Cl N4 O4
SMILES:CN6CCN(C5CCC(CN(c1ccc(cc1)N3C(c2ccc(Cl)cc2)c4c(CC3=O)cc(c(c4)OC(C)C)OC)C)CC5)CC6=O
InChi:InChI=1S/C38H47ClN4O4/c1-25(2)47-35-22-33-28(20-34(35)46-5)21-36(44)43(38(33)27-8-10-29(39)11-9-27)32-16-14-30(15-17-32)41(4)23-26-6-12-31(13-7-26)42-19-18-40(3)37(45)24-42/h8-11,14-17,20,22,25-26,31,38H,6-7,12-13,18-19,21,23-24H2,1-5H3/t26-,31-,38-/m0/s1
別名:NVP-CGM097
定義日:2015-05-21
最終更新日:2021-03-01
公開日:2015-07-29
識別子（ID）:(1S)-1-(4-chlorophenyl)-6-methoxy-2-[4-(methyl{[trans-4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl]methyl}amino)phenyl]-7-(propan-2-yloxy)-1,4-dihydroisoquinolin-3(2H)-one
4TD
4TD
表記:(2S)-1-[3-[(2S)-2-oxidanylpropoxy]-2-[[(2S)-2-oxidanylpropoxy]methyl]-2-[[(2R)-2-oxidanylpropoxy]methyl]propoxy]propan-2-ol
組成式:C17 H36 O8
SMILES:O(CC(O)C)CC(COCC(O)C)(COCC(O)C)COCC(O)C
InChi:InChI=1S/C17H36O8/c1-13(18)5-22-9-17(10-23-6-14(2)19,11-24-7-15(3)20)12-25-8-16(4)21/h13-16,18-21H,5-12H2,1-4H3/t13-,14-,15-,16+/m0/s1
別名:tetraerythritol propoxylate
定義日:2014-01-08
最終更新日:2021-03-01
公開日:2014-04-09
識別子（ID）:(2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2S)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol (non-preferred name)
4WV
4WV
表記:bis(cyanido-kappaC)(dicarbonyl)-mu-(oxomethylidene)-mu-(oxydimethanethiolate-1kappaS:2kappaS)diiron(2+)
組成式:C7 H4 Fe2 N2 O4 S2
SMILES:O=C1[Fe]|2(S|3COCS|2[Fe]1|3(C#N)C#[O+])(C#N)C#[O+]
InChi:InChI=1S/C2H4OS2.2CN.3CO.2Fe/c4-1-3-2-5
別名:oxodithiolato-bridged [2Fe2S] cluster
定義日:2015-06-15
最終更新日:2021-03-01
公開日:2015-11-11

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