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CFL
CFL
表記:4-amino-1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)pyrimidin-2(1H)-one
組成式:C9 H13 F N3 O7 P
SMILES:O=C1N=C(N)C=CN1C2OC(C(O)C2F)COP(=O)(O)O
InChi:InChI=1S/C9H13FN3O7P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)13-2-1-5(11)12-9(13)15/h1-2,4,6-8,14H,3H2,(H2,11,12,15)(H2,16,17,18)/t4-,6+,7-,8-/m1/s1
別名:2'-FLUORO-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE
定義日:2006-09-07
最終更新日:2020-06-17
識別子（ID）:4-amino-1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)pyrimidin-2(1H)-one
P13
P13
表記:N-[2-(3-AMINOPROPOXY)-5-(1H-INDOL-5-YL)BENZYL]-N-(2-PIPERAZIN-1-YLETHYL)AMINE
組成式:C24 H33 N5 O
SMILES:O(c3ccc(c2cc1ccnc1cc2)cc3CNCCN4CCNCC4)CCCN
InChi:InChI=1S/C24H33N5O/c25-7-1-15-30-24-5-3-20(19-2-4-23-21(16-19)6-8-28-23)17-22(24)18-27-11-14-29-12-9-26-10-13-29/h2-6,8,16-17,26-28H,1,7,9-15,18,25H2
別名:RBT550 INHIBITOR
定義日:2003-12-10
最終更新日:2020-06-17
識別子（ID）:3-[4-(1H-indol-5-yl)-2-{[(2-piperazin-1-ylethyl)amino]methyl}phenoxy]propan-1-amine
P14
P14
表記:N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}-4-METHOXYPHENOXY)ETHYL]GUANIDINE
組成式:C16 H31 N7 O2
SMILES:O(c1ccc(OC)cc1CNCCCCNC(=[NH2+])N)CCNC(=[NH2+])N
InChi:InChI=1S/C16H29N7O2/c1-24-13-4-5-14(25-9-8-23-16(19)20)12(10-13)11-21-6-2-3-7-22-15(17)18/h4-5,10,21H,2-3,6-9,11H2,1H3,(H4,17,18,22)(H4,19,20,23)/p+2
別名:RBT203 INHIBITOR
定義日:2003-12-18
最終更新日:2020-06-17
識別子（ID）:amino{[2-(2-{[(4-{[amino(iminio)methyl]amino}butyl)amino]methyl}-4-methoxyphenoxy)ethyl]amino}methaniminium
P1B
P1B
表記:(5R)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione
組成式:C19 H20 N2 O3 S
SMILES:O=C1NC(=O)SC1Cc3ccc(OCCc2ncc(cc2)CC)cc3
InChi:InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)/t17-/m1/s1
別名:PIOGLITAZONE
定義日:2010-07-14
最終更新日:2020-06-17
識別子（ID）:(5R)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione
P1D
P1D
表記:((2S,3AS,4R,6S)-4-(HYDROXYMETHYL)-6-(4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-TETRAHYDROFURO[3,4-D][1,3]DIOXO L-2-YL)METHYLPHOSPHONIC ACID
組成式:C13 H16 N3 O8 P
SMILES:O=C1NC=Nc2c1ncc2C3OC(C4OC(OC34)CP(=O)(O)O)CO
InChi:InChI=1S/C13H16N3O8P/c17-2-6-11-12(24-7(23-11)3-25(19,20)21)10(22-6)5-1-14-9-8(5)15-4-16-13(9)18/h1,4,6-7,10-12,14,17H,2-3H2,(H,15,16,18)(H2,19,20,21)/t6-,7-,10+,11-,12+/m1/s1
別名:9-DEAZAINOSINE-2',3'-O-ETHYLIDENEPHOSPHONATE
定義日:2005-08-04
最終更新日:2020-06-17
識別子（ID）:(1S)-1,4-anhydro-1-(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,3-O-[(1S)-2-phosphonoethylidene]-D-ribitol
CGB
CGB
表記:CALYSTEGINE B2
組成式:C7 H13 N O4
SMILES:OC12NC(CC1)C(O)C(O)C2O
InChi:InChI=1S/C7H13NO4/c9-4-3-1-2-7(12,8-3)6(11)5(4)10/h3-6,8-12H,1-2H2/t3-,4+,5-,6+,7-/m1/s1
別名:(1S,2R,3S,4R,5S)-8-AZABICYCLO[3.2.1]OCTANE-1,2,3,4-TETROL
定義日:2006-01-09
最終更新日:2020-06-17
識別子（ID）:(1R,2S,3R,4S,5R)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol
P1H
P1H
表記:{(2R,3S,4R,5R)-5-[(4S)-3-(AMINOCARBONYL)-4-(2-PROPYLISONICOTINOYL)PYRIDIN-1(4H)-YL]-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL}M ETHYL [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
組成式:C30 H38 N8 O15 P2
SMILES:CCCc1cc(ccn1)C(=O)[CH]2C=CN(C=C2C(N)=O)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O
InChi:InChI=1S/C30H38N8O15P2/c1-2-3-15-8-14(4-6-33-15)21(39)16-5-7-37(9-17(16)27(32)44)29-24(42)22(40)18(51-29)10-49-54(45,46)53-55(47,48)50-11-19-23(41)25(43)30(52-19)38-13-36-20-26(31)34-12-35-28(20)38/h4-9,12-13,16,18-19,22-25,29-30,40-43H,2-3,10-11H2,1H3,(H2,32,44)(H,45,46)(H,47,48)(H2,31,34,35)/t16-,18+,19+,22+,23+,24+,25+,29+,30+/m0/s1
別名:2-PROPYL-ISONICOTINIC-ACYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE
定義日:2006-11-10
最終更新日:2020-06-17
識別子（ID）:[(2R,3S,4R,5R)-5-[(4S)-3-aminocarbonyl-4-(2-propylpyridin-4-yl)carbonyl-4H-pyridin-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate
CGS
CGS
表記:N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE
組成式:C18 H23 N3 O5 S
SMILES:O=C(NO)C(N(S(=O)(=O)c1ccc(OC)cc1)Cc2cccnc2)C(C)C
InChi:InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
別名:CGS-27023A
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-(pyridin-3-ylmethyl)-D-valinamide
CGT
CGT
表記:CARBA-GLUCOTROPAEOLIN
組成式:C15 H21 N O8 S2
SMILES:O=S(=O)(O)ON=C(/SC1CC(C(O)C(O)C1O)CO)Cc2ccccc2
InChi:InChI=1S/C15H21NO8S2/c17-8-10-7-11(14(19)15(20)13(10)18)25-12(16-24-26(21,22)23)6-9-4-2-1-3-5-9/h1-5,10-11,13-15,17-20H,6-8H2,(H,21,22,23)/b16-12-/t10-,11-,13-,14+,15+/m1/s1
別名:(1S,2S,3R,4S,5S)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)CYCLOHEXYL (1E)-2-PHENYL-N-(SULFOOXY)ETHANIMIDOTHIOATE
定義日:2004-10-08
最終更新日:2020-06-17
識別子（ID）:(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl (1Z)-2-phenyl-N-(sulfooxy)ethanimidothioate
P2G
P2G
表記:(2S,4R,6R,6AS)-4-(2-AMINO-6-OXO-1,6-DIHYDROPURIN-9-YL)-6-(HYDROXYMETHYL)-TETRAHYDROFURO[3,4-D][1,3]DIOXOL-2-YLPHOSPHONI C ACID
組成式:C11 H14 N5 O8 P
SMILES:O=C4NC(=Nc1c4ncn1C3OC(C2OC(OC23)P(=O)(O)O)CO)N
InChi:InChI=1S/C11H14N5O8P/c12-10-14-7-4(8(18)15-10)13-2-16(7)9-6-5(3(1-17)22-9)23-11(24-6)25(19,20)21/h2-3,5-6,9,11,17H,1H2,(H2,19,20,21)(H3,12,14,15,18)/t3-,5-,6-,9-,11+/m1/s1
別名:GUANOSINE-2',3'-O-METHYLIDENEPHOSPHONATE
定義日:2005-08-04
最終更新日:2020-06-17
識別子（ID）:2',3'-O-(phosphonomethylidene)guanosine
CH9
CH9
表記:2-HYDROXYBIPHENYL
組成式:C12 H10 O
SMILES:Oc2ccccc2c1ccccc1
InChi:InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H
別名:1,1'-BIPHENYL-2-OL
定義日:2005-09-16
最終更新日:2020-06-17
公開日:2015-08-19
識別子（ID）:biphenyl-2-ol
CHH
CHH
表記:N,N,N-TRIMETHYL-4-OXOPENTAN-1-AMINIUM
組成式:C8 H18 N O
SMILES:O=C(C)CCC[N+](C)(C)C
InChi:InChI=1S/C8H18NO/c1-8(10)6-5-7-9(2,3)4/h5-7H2,1-4H3/q+1
別名:4-KETOAMYLTRIMETHYLAMMONIUM
定義日:2006-06-14
最終更新日:2020-06-17
識別子（ID）:N,N,N-trimethyl-4-oxopentan-1-aminium
P2O
P2O
表記:3-PROP-2-YN-1-YL-1,3-OXAZOLIDIN-2-ONE
組成式:C6 H7 N O2
SMILES:O=C1OCCN1CC#C
InChi:InChI=1S/C6H7NO2/c1-2-3-7-4-5-9-6(7)8/h1H,3-5H2
別名:1-(PROP-2-YNYL)-OXAZOLIDINE-2-ONE
定義日:2006-07-26
最終更新日:2020-06-17
識別子（ID）:3-prop-2-yn-1-yl-1,3-oxazolidin-2-one
P2P
P2P
表記:N7-(5'-PHOSPHO-ALPHA-RIBOSYL)-2-HYDROXYPURINE
組成式:C10 H13 N4 O8 P
SMILES:O=P(O)(O)OCC3OC(n2cnc1nc(O)ncc12)C(O)C3O
InChi:InChI=1S/C10H13N4O8P/c15-6-5(2-21-23(18,19)20)22-9(7(6)16)14-3-12-8-4(14)1-11-10(17)13-8/h1,3,5-7,9,15-16H,2H2,(H,11,13,17)(H2,18,19,20)/t5-,6-,7-,9+/m1/s1
別名:PHOSPHORIC ACID MONO-[3,4-DIHYDROXY-5-(5-HYDROXY-BENZOIMIDAZOL-1-YL)TETRAHYDRO-FURAN-2-YLMETHYL] ESTER
定義日:2001-07-10
最終更新日:2020-06-17
識別子（ID）:7-(5-O-phosphono-alpha-D-ribofuranosyl)-7H-purin-2-ol
CHQ
CHQ
表記:CYCLO-(L-HISTIDINE-L-PROLINE) INHIBITOR
組成式:C11 H14 N4 O2
SMILES:O=C1N3CCCC3C(=O)NC1Cc2cncn2
InChi:InChI=1S/C11H14N4O2/c16-10-9-2-1-3-15(9)11(17)8(14-10)4-7-5-12-6-13-7/h5-6,8-9H,1-4H2,(H,12,13)(H,14,16)/t8-,9-/m0/s1
別名:(3S,8AR)-3-(1H-IMIDAZOL-5-YLMETHYL)HEXAHYDROPYRROLO[1,2-A]PYRAZINE-1,4-DIONE
定義日:2004-06-24
最終更新日:2020-06-17
識別子（ID）:(3S,8aS)-3-(1H-imidazol-5-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CHR
CHR
表記:NEOCARZINOSTATIN-CHROMOPHORE
組成式:C35 H33 N O12
SMILES:O=C1OCC(O1)C23C#CC=7C(=CC#CC3O2)C(OC4OC(C(O)C(O)C4NC)C)C(OC(=O)c6c5cc(OC)cc(c5ccc6O)C)C=7
InChi:InChI=1S/C35H33NO12/c1-16-12-19(42-4)14-22-20(16)8-9-23(37)27(22)32(40)45-24-13-18-10-11-35(26-15-43-34(41)46-26)25(48-35)7-5-6-21(18)31(24)47-33-28(36-3)30(39)29(38)17(2)44-33/h6,8-9,12-14,17,24-26,28-31,33,36-39H,15H2,1-4H3/b21-6+/t17-,24-,25-,26-,28-,29+,30-,31-,33-,35+/m1/s1
別名:NCS-CHROMOPHORE
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:(1aS,5R,6R,6aE,9aR)-6-{[2,6-dideoxy-2-(methylamino)-alpha-D-galactopyranosyl]oxy}-1a-[(4R)-2-oxo-1,3-dioxolan-4-yl]-2,3,8,9-tetradehydro-1a,5,6,9a-tetrahydrocyclopenta[5,6]cyclonona[1,2-b]oxiren-5-yl 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylate
P2Z
P2Z
表記:Promazine
組成式:C17 H20 N2 S
SMILES:S2c1ccccc1N(c3c2cccc3)CCCN(C)C
InChi:InChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3
別名:N,N-dimethyl-3-(10H-phenothiazin-10-yl)propan-1-amine
定義日:2013-08-23
最終更新日:2020-06-17
公開日:2014-01-22
識別子（ID）:N,N-dimethyl-3-(10H-phenothiazin-10-yl)propan-1-amine
CHZ
CHZ
表記:1,8-dihydroxyanthracene-9,10-dione
組成式:C14 H8 O4
SMILES:O=C2c1cccc(O)c1C(=O)c3c2cccc3O
InChi:InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H
別名:Chrysazin
定義日:2009-06-08
最終更新日:2020-06-17
識別子（ID）:1,8-dihydroxyanthracene-9,10-dione
CI4
CI4
表記:2-(3-chloro-2-fluorobenzyl)-6,7-dihydroxy-2,3-dihydro-1H-isoindol-1-one
組成式:C15 H11 Cl F N O3
SMILES:Clc1cccc(c1F)CN3C(=O)c2c(O)c(O)ccc2C3
InChi:InChI=1S/C15H11ClFNO3/c16-10-3-1-2-9(13(10)17)7-18-6-8-4-5-11(19)14(20)12(8)15(18)21/h1-5,19-20H,6-7H2
別名:XZ-116
定義日:2012-10-08
最終更新日:2020-06-17
公開日:2012-10-26
識別子（ID）:2-(3-chloro-2-fluorobenzyl)-6,7-dihydroxy-2,3-dihydro-1H-isoindol-1-one
P3D
P3D
表記:(4-{(E)-[(5-AMINOPENTYL)IMINO]METHYL}-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE
組成式:C13 H22 N3 O5 P
SMILES:O=P(O)(O)OCc1cnc(c(O)c1/C=N/CCCCCN)C
InChi:InChI=1S/C13H22N3O5P/c1-10-13(17)12(8-15-6-4-2-3-5-14)11(7-16-10)9-21-22(18,19)20/h7-8,17H,2-6,9,14H2,1H3,(H2,18,19,20)/b15-8+
別名:PHOSPHORIC ACID MONO-{4-[(5-AMINO-PENTYLIMINO)-METHYL]-5-HYDROXY-6-METHYL-PYRIDIN-3-YLMETHYL} ESTER
定義日:2007-05-16
最終更新日:2020-06-17
識別子（ID）:(4-{(E)-[(5-aminopentyl)imino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
CIB
CIB
表記:2-ACETYLAMINO-4-METHYL-PENTANOIC ACID [1-(1-FORMYL-PENTYLCARBAMOYL)-3-METHYL-BUTYL]-AMIDE
組成式:C20 H37 N3 O4
SMILES:O=C(NC(C(=O)NC(C(=O)NC(C=O)CCCC)CC(C)C)CC(C)C)C
InChi:InChI=1S/C20H37N3O4/c1-7-8-9-16(12-24)22-19(26)18(11-14(4)5)23-20(27)17(10-13(2)3)21-15(6)25/h12-14,16-18H,7-11H2,1-6H3,(H,21,25)(H,22,26)(H,23,27)/t16-,17-,18-/m0/s1
別名:CALPAIN IHIBITOR I
定義日:2003-01-22
最終更新日:2020-06-17
識別子（ID）:N-acetyl-L-leucyl-N-[(1S)-1-formylpentyl]-L-leucinamide
CIS
CIS
表記:(15Z)-N-((1S,2R,3E)-2-HYDROXY-1-{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-3-ENYL)TETRACOS-15-ENAMIDE
組成式:C48 H91 N O11 S
SMILES:O=S(=O)(O)OC1C(O)C(OC(OCC(NC(=O)CCCCCCCCCCCCCC=C/CCCCCCCC)C(O)/C=C/CCCCCCCCCCCCC)C1O)CO
InChi:InChI=1S/C48H91NO11S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)40-58-48-46(54)47(60-61(55,56)57)45(53)43(39-50)59-48/h17-18,35,37,41-43,45-48,50-51,53-54H,3-16,19-34,36,38-40H2,1-2H3,(H,49,52)(H,55,56,57)/b18-17-,37-35+/t41-,42+,43+,45-,46+,47-,48+/m0/s1
別名:(2S,3R,4E)-N-NERVONIC-1-[BETA-D-(3-SULFATE)-GALACTOPYRANOSYL]-2-AMINO-OCTADECENE-3-OL
定義日:2005-09-26
最終更新日:2020-06-17
識別子（ID）:(15Z)-N-[(1S,2R,3E)-2-hydroxy-1-{[(3-O-sulfo-beta-D-galactopyranosyl)oxy]methyl}heptadec-3-en-1-yl]tetracos-15-enamide
P42
P42
表記:(2S)-2-{[(1R)-1-hydroxyhexadecyl]oxy}-3-{[(1R)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate
組成式:C42 H88 N O8 P
SMILES:[O-]P(=O)(OCC[N+](C)(C)C)OCC(OC(O)CCCCCCCCCCCCCCC)COC(O)CCCCCCCCCCCCCCCCC
InChi:InChI=1S/C42H88NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h40-42,44-45H,6-39H2,1-5H3/t40-,41+,42+/m0/s1
別名:1-Stearoyl-2-Palmitoyl-sn-Glycero-3-Phosphocholine
定義日:2008-11-25
最終更新日:2020-06-17
識別子（ID）:(2S)-2-{[(1R)-1-hydroxyhexadecyl]oxy}-3-{[(1R)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate
CIY
CIY
表記:(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal
組成式:C10 H10 O3
SMILES:O=CC=Cc1cc(OC)c(O)cc1
InChi:InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+
別名:Coniferaldehyde
定義日:2010-10-25
最終更新日:2020-06-17
識別子（ID）:(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal
P4A
P4A
表記:4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol
組成式:C17 H16 N2 O3
SMILES:Oc3ccc(c2nnc(c2c1ccc(OC)cc1)C)c(O)c3
InChi:InChI=1S/C17H16N2O3/c1-10-16(11-3-6-13(22-2)7-4-11)17(19-18-10)14-8-5-12(20)9-15(14)21/h3-9,20-21H,1-2H3,(H,18,19)
別名:3-(2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-5-methyl-1h-pyrazole
定義日:2007-12-05
最終更新日:2020-06-17
識別子（ID）:4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol

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件を2025-07-09に公開中

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