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RMC
RMC
表記:(2R)-2-({6-[BENZYL(METHYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN-1-OL
組成式:C20 H28 N6 O
SMILES:n2c1c(ncn1C(C)C)c(nc2NC(CC)CO)N(Cc3ccccc3)C
InChi:InChI=1S/C20H28N6O/c1-5-16(12-27)22-20-23-18(25(4)11-15-9-7-6-8-10-15)17-19(24-20)26(13-21-17)14(2)3/h6-10,13-14,16,27H,5,11-12H2,1-4H3,(H,22,23,24)/t16-/m1/s1
別名:N6-METHYL-(R)-ROSCOVITINE
定義日:2005-01-06
最終更新日:2020-05-27
識別子（ID）:(2R)-2-({6-[benzyl(methyl)amino]-9-(1-methylethyl)-9H-purin-2-yl}amino)butan-1-ol
YMP
YMP
表記:O-(ADENOSINE-5'-O-YL)-N-(L-TYROSYL)PHOSPHORAMIDATE
組成式:C19 H24 N7 O8 P
SMILES:O=C(NP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)Cc4ccc(O)cc4
InChi:InChI=1S/C19H24N7O8P/c20-11(5-9-1-3-10(27)4-2-9)18(30)25-35(31,32)33-6-12-14(28)15(29)19(34-12)26-8-24-13-16(21)22-7-23-17(13)26/h1-4,7-8,11-12,14-15,19,27-29H,5-6,20H2,(H2,21,22,23)(H2,25,30,31,32)/t11-,12+,14+,15+,19+/m0/s1
別名:TYROSYL-ADENYLATE ANALOGUE
定義日:2006-05-02
最終更新日:2020-05-26
識別子（ID）:5'-O-[(S)-hydroxy(L-tyrosylamino)phosphoryl]adenosine
URP
URP
表記:N-(AMINOCARBONYL)-BETA-ALANINE
組成式:C4 H8 N2 O3
SMILES:O=C(O)CCNC(=O)N
InChi:InChI=1S/C4H8N2O3/c5-4(9)6-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9)
別名:N-CARBAMYL-BETA-ALANINE
定義日:2006-02-06
最終更新日:2020-05-26
識別子（ID）:N-carbamoyl-beta-alanine
BEQ
BEQ
表記:N-(CARBOXYMETHYL)-N,N-DIMETHYL-3-[(1-OXODODECYL)AMINO]-1-PROPANAMINIUM INNER SALT
組成式:C19 H38 N2 O3
SMILES:[O-]C(=O)C[N+](CCCNC(=O)CCCCCCCCCCC)(C)C
InChi:InChI=1S/C19H38N2O3/c1-4-5-6-7-8-9-10-11-12-14-18(22)20-15-13-16-21(2,3)17-19(23)24/h4-17H2,1-3H3,(H-,20,22,23,24)
別名:N-[3-(DODECANOYLAMINO)PROPYL]-N,N-DIMETHYLGLYCINATE
定義日:2005-01-12
最終更新日:2020-05-26
識別子（ID）:{[3-(dodecanoylamino)propyl](dimethyl)ammonio}acetate
BMO
BMO
表記:N-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9-YLAMINO)PROPYL]PROPANE-1,3-DIAMINE
組成式:C32 H31 N5
SMILES:n2c1c(cccc1)c(c3c2cccc3)NCCCNCCCNc4c6c(nc5c4cccc5)cccc6
InChi:InChI=1S/C32H31N5/c1-5-15-27-23(11-1)31(24-12-2-6-16-28(24)36-27)34-21-9-19-33-20-10-22-35-32-25-13-3-7-17-29(25)37-30-18-8-4-14-26(30)32/h1-8,11-18,33H,9-10,19-22H2,(H,34,36)(H,35,37)
別名:1,3-PROPANEDIAMINE
定義日:2006-04-25
最終更新日:2020-05-26
識別子（ID）:N-acridin-9-yl-N'-[3-(acridin-9-ylamino)propyl]propane-1,3-diamine
0JZ
0JZ
表記:(4R,11R,18R)-4,11,18-tri(propan-2-yl)-6,13,20-triselena-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
組成式:C24 H30 N6 O3 Se3
SMILES:O=C3NC(c1[se]cc(n1)C(=O)NC(c4nc(C(=O)NC(c2[se]cc3n2)C(C)C)c[se]4)C(C)C)C(C)C
InChi:InChI=1S/C24H30N6O3Se3/c1-10(2)16-22-25-14(7-34-22)20(32)29-18(12(5)6)24-27-15(9-36-24)21(33)30-17(11(3)4)23-26-13(8-35-23)19(31)28-16/h7-12,16-18H,1-6H3,(H,28,31)(H,29,32)(H,30,33)/t16-,17-,18-/m1/s1
別名:cyclic-tris-(R)-valineselenazole
定義日:2009-02-06
最終更新日:2020-05-26
識別子（ID）:(4R,11R,18R)-4,11,18-tri(propan-2-yl)-6,13,20-triselena-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
2Y5
2Y5
表記:(2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
組成式:C47 H84 O16 P2
SMILES:O=C(OCC(OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1O)CCCCCCCCCCCCCCCCC
InChi:InChI=1S/C47H84O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)46(43(51)45(47)53)62-64(54,55)56/h11,13,17,19,22,24,28,30,39,42-47,50-53H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,19-17-,24-22-,30-28-/t39-,42-,43+,44-,45-,46+,47+/m1/s1
別名:Phosphatidylinositol-4-phosphate
定義日:2014-05-12
最終更新日:2020-05-26
公開日:2015-07-29
識別子（ID）:(2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
1PS
1PS
表記:3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE
組成式:C8 H11 N O3 S
SMILES:[O-]S(=O)(=O)CCC[n+]1ccccc1
InChi:InChI=1S/C8H11NO3S/c10-13(11,12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
別名:1-(3-SULFOPROPYL) PYRIDINIUM
定義日:2003-11-14
最終更新日:2020-05-26
識別子（ID）:3-pyridinium-1-ylpropane-1-sulfonate
1WE
1WE
表記:(2S)-1-phenylpropan-2-amine
組成式:C9 H13 N
SMILES:NC(Cc1ccccc1)C
InChi:InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1
別名:Dextroamphetamine
定義日:2013-07-05
最終更新日:2020-05-26
公開日:2013-12-11
識別子（ID）:(2S)-1-phenylpropan-2-amine
0ZJ
0ZJ
表記:N-(sulfanylacetyl)-D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide
組成式:C23 H36 Cl N6 O4 S
SMILES:O=C(NC(CCCNC(=[NH2+])N)C(O)CCl)C2N(C(=O)C(NC(=O)CS)Cc1ccccc1)CCC2
InChi:InChI=1S/C23H35ClN6O4S/c24-13-19(31)16(8-4-10-27-23(25)26)29-21(33)18-9-5-11-30(18)22(34)17(28-20(32)14-35)12-15-6-2-1-3-7-15/h1-3,6-7,16-19,31,35H,4-5,8-14H2,(H,28,32)(H,29,33)(H4,25,26,27)/p+1/t16-,17+,18-,19+/m0/s1
別名:ATA-FPR-CH2Cl
定義日:2008-08-05
最終更新日:2020-05-26
識別子（ID）:N-(sulfanylacetyl)-D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide
0ZO
0ZO
表記:N-(3-carboxypropanoyl)-L-alanyl-L-alanyl-N-[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]-L-prolinamide
組成式:C25 H35 Cl N4 O7
SMILES:O=C(NC(Cc1ccccc1)C(O)CCl)C2N(C(=O)C(NC(=O)C(NC(=O)CCC(=O)O)C)C)CCC2
InChi:InChI=1S/C25H35ClN4O7/c1-15(27-21(32)10-11-22(33)34)23(35)28-16(2)25(37)30-12-6-9-19(30)24(36)29-18(20(31)14-26)13-17-7-4-3-5-8-17/h3-5,7-8,15-16,18-20,31H,6,9-14H2,1-2H3,(H,27,32)(H,28,35)(H,29,36)(H,33,34)/t15-,16-,18-,19-,20+/m0/s1
別名:AAPF-chloromethylketone
定義日:2009-01-13
最終更新日:2020-05-26
識別子（ID）:N-(3-carboxypropanoyl)-L-alanyl-L-alanyl-N-[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]-L-prolinamide
142
142
表記:CARBIDOPA
組成式:C10 H14 N2 O4
SMILES:O=C(O)C(NN)(Cc1cc(O)c(O)cc1)C
InChi:InChI=1S/C10H14N2O4/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6/h2-4,12-14H,5,11H2,1H3,(H,15,16)/t10-/m0/s1
別名:KINSON
定義日:2001-08-23
最終更新日:2020-05-26
識別子（ID）:(2S)-3-(3,4-dihydroxyphenyl)-2-hydrazino-2-methylpropanoic acid
B41
B41
表記:(2S)-1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine
組成式:C11 H15 N O2
SMILES:O1c2ccc(cc2OC1)CC(NC)C
InChi:InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3/t8-/m0/s1
別名:3,4 methylenedioxy-n-methylamphetamine
定義日:2009-03-18
最終更新日:2020-05-26
識別子（ID）:(2S)-1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine
4MK
4MK
表記:5-chloro-N~2~-[5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl]-N~4~-[2-(propan-2-ylsulfonyl)phenyl]pyrimidine-2,4-diamine
組成式:C28 H36 Cl N5 O3 S
SMILES:O=S(=O)(c1ccccc1Nc2nc(ncc2Cl)Nc3cc(c(cc3OC(C)C)C4CCNCC4)C)C(C)C
InChi:InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)
別名:Ceritinib
定義日:2013-09-16
最終更新日:2020-05-26
公開日:2014-04-09
識別子（ID）:5-chloro-N~2~-[5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl]-N~4~-[2-(propan-2-ylsulfonyl)phenyl]pyrimidine-2,4-diamine
630
630
表記:1-{(3R,4R)-3-[({5-chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}propan-1-one
組成式:C19 H24 Cl N7 O3
SMILES:N(c1cn(nc1)C)c3nc(OCC2C(CN(C(CC)=O)C2)OC)c4c(n3)ncc4Cl
InChi:InChI=1S/C19H24ClN7O3/c1-4-15(28)27-7-11(14(9-27)29-3)10-30-18-16-13(20)6-21-17(16)24-19(25-18)23-12-5-22-26(2)8-12/h5-6,8,11,14H,4,7,9-10H2,1-3H3,(H2,21,23,24,25)/t11-,14+/m1/s1
別名:Bound form of PF-06459988
定義日:2016-01-18
最終更新日:2020-05-26
公開日:2016-01-27
識別子（ID）:1-{(3R,4R)-3-[({5-chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}propan-1-one
69Q
69Q
表記:2-methyl-1-[(4-[6-(trifluoromethyl)pyridin-2-yl]-6-{[2-(trifluoromethyl)pyridin-4-yl]amino}-1,3,5-triazin-2-yl)amino]propan-2-ol
組成式:C19 H17 F6 N7 O
SMILES:c3(cccc(c1nc(NCC(O)(C)C)nc(n1)Nc2cc(ncc2)C(F)(F)F)n3)C(F)(F)F
InChi:InChI=1S/C19H17F6N7O/c1-17(2,33)9-27-15-30-14(11-4-3-5-12(29-11)18(20,21)22)31-16(32-15)28-10-6-7-26-13(8-10)19(23,24)25/h3-8,33H,9H2,1-2H3,(H2,26,27,28,30,31,32)
別名:Enasidenib
定義日:2016-02-22
最終更新日:2020-05-26
公開日:2017-03-08
識別子（ID）:2-methyl-1-[(4-[6-(trifluoromethyl)pyridin-2-yl]-6-{[2-(trifluoromethyl)pyridin-4-yl]amino}-1,3,5-triazin-2-yl)amino]propan-2-ol
72B
72B
表記:[(amino-kappaN)methanethiolato](3-fluoro-9-methoxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H,12H)-dionato-kappa~2~N,N')(N-methyl-1,4,7-trithiecan-9-amine-kappa~3~S~1~,S~4~,S~7~)ruthenium
組成式:C27 H29 F N5 O3 Ru S4
SMILES:O=C1c3c(C(=O)N1)c2cc(F)cn9c2c5c3c4cc(OC)ccc4n5[Ru]798(NCS)S6CCS8CC(NC)CS7CC6
InChi:InChI=1S/C18H10FN3O3.C8H17NS3.CH4NS.Ru/c1-25-8-2-3-11-9(5-8)12-14-13(17(23)22-18(14)24)10-4-7(19)6-20-15(10)16(12)21-11
別名:(3-fluoro-9-methoxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H,12H)-dionato)(N-methyl-1,4,7-trithiacyclodecan-9-amine)ruthenium(II)-isothiocyanate
定義日:2014-12-21
最終更新日:2020-05-26
公開日:2015-01-21
識別子（ID）:[(amino-kappaN)methanethiolato](3-fluoro-9-methoxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H,12H)-dionato-kappa~2~N,N')(N-methyl-1,4,7-trithiecan-9-amine-kappa~3~S~1~,S~4~,S~7~)ruthenium
75V
75V
表記:N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE
組成式:C15 H24 N2 O7
SMILES:O=C(NC(C(=O)NC(C(=O)O)C)C(C)CC)C1OC1C(=O)OCC
InChi:InChI=1S/C15H24N2O7/c1-5-7(3)9(12(18)16-8(4)14(20)21)17-13(19)10-11(24-10)15(22)23-6-2/h7-11H,5-6H2,1-4H3,(H,16,18)(H,17,19)(H,20,21)/t7-,8-,9-,10-,11-/m0/s1
別名:CA075
定義日:2006-01-06
最終更新日:2020-05-26
識別子（ID）:N-{[(2S,3S)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-L-isoleucyl-L-alanine
2J8
2J8
表記:(4S,11S,18S)-4,11,18-tri(propan-2-yl)-6,13,20-triselena-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
組成式:C24 H30 N6 O3 Se3
SMILES:O=C3NC(c1[se]cc(n1)C(=O)NC(c4nc(C(=O)NC(c2[se]cc3n2)C(C)C)c[se]4)C(C)C)C(C)C
InChi:InChI=1S/C24H30N6O3Se3/c1-10(2)16-22-25-14(7-34-22)20(32)29-18(12(5)6)24-27-15(9-36-24)21(33)30-17(11(3)4)23-26-13(8-35-23)19(31)28-16/h7-12,16-18H,1-6H3,(H,28,31)(H,29,32)(H,30,33)/t16-,17-,18-/m0/s1
別名:cyclic-tris-(S)-valineselenazole
定義日:2013-10-25
最終更新日:2020-05-26
公開日:2013-11-13
識別子（ID）:(4S,11S,18S)-4,11,18-tri(propan-2-yl)-6,13,20-triselena-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
2JT
2JT
表記:1,3-dihydroxypropan-2-yl octadecanoate
組成式:C21 H42 O4
SMILES:O=C(OC(CO)CO)CCCCCCCCCCCCCCCCC
InChi:InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h20,22-23H,2-19H2,1H3
別名:2-Stearoylglycerol
定義日:2013-11-08
最終更新日:2020-05-26
公開日:2014-04-23
識別子（ID）:1,3-dihydroxypropan-2-yl octadecanoate
2OH
2OH
表記:4,4'-PROPANE-2,2-DIYLDIPHENOL
組成式:C15 H16 O2
SMILES:Oc1ccc(cc1)C(c2ccc(O)cc2)(C)C
InChi:InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3
別名:4,4'-ISOPROPYLIDENEDIPHENOL
定義日:2006-11-20
最終更新日:2020-05-26
識別子（ID）:4,4'-propane-2,2-diyldiphenol
BNT
BNT
表記:2,5-DIBROMO-3-ISOPROPYL-6-METHYLBENZO-1,4-QUINONE
組成式:C10 H10 Br2 O2
SMILES:BrC1=C(C(=O)C(Br)=C(C1=O)C(C)C)C
InChi:InChI=1S/C10H10Br2O2/c1-4(2)6-8(12)9(13)5(3)7(11)10(6)14/h4H,1-3H3
別名:2,5-DIBROMO-3-METHYL-6-ISOPROPYLBENZOQUINONE
定義日:2005-09-26
最終更新日:2020-05-26
識別子（ID）:2,5-dibromo-3-methyl-6-(1-methylethyl)cyclohexa-2,5-diene-1,4-dione
BPV
BPV
表記:Bromopyruvate
組成式:C3 H3 Br O3
SMILES:BrCC(=O)C(=O)O
InChi:InChI=1S/C3H3BrO3/c4-1-2(5)3(6)7/h1H2,(H,6,7)
別名:Bromopyruvic acid
定義日:2009-06-10
最終更新日:2020-05-26
識別子（ID）:3-bromo-2-oxopropanoic acid
UHA
UHA
表記:(2R)-2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)propanamide
組成式:C15 H15 Cl N2 O
SMILES:n1ccc(C)c(c1)NC(C(c2cccc(Cl)c2)C)=O
InChi:InChI=1S/C15H15ClN2O/c1-10-6-7-17-9-14(10)18-15(19)11(2)12-4-3-5-13(16)8-12/h3-9,11H,1-2H3,(H,18,19)/t11-/m1/s1
定義日:2020-05-18
最終更新日:2020-05-22
公開日:2020-05-27
識別子（ID）:(2R)-2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)propanamide
UHG
UHG
表記:(2R)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid
組成式:C15 H12 Cl N O2
SMILES:c3cc2c1cc(Cl)ccc1nc2cc3C(C)C(O)=O
InChi:InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)/t8-/m1/s1
定義日:2020-05-18
最終更新日:2020-05-22
公開日:2020-05-27
識別子（ID）:(2R)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid

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件を2024-07-10に公開中

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