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BBM
BBM
表記:5-BROMO-N-(2,3-DIHYDROXYPROPOXY)-3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]BENZAMIDE
組成式:C16 H13 Br F3 I N2 O4
SMILES:Fc1c(c(cc(Br)c1F)C(=O)NOCC(O)CO)Nc2ccc(I)cc2F
InChi:InChI=1S/C16H13BrF3IN2O4/c17-10-4-9(16(26)23-27-6-8(25)5-24)15(14(20)13(10)19)22-12-2-1-7(21)3-11(12)18/h1-4,8,22,24-25H,5-6H2,(H,23,26)/t8-/m0/s1
定義日:2004-02-10
最終更新日:2011-06-04
識別子（ID）:5-bromo-N-{[(2S)-2,3-dihydroxypropyl]oxy}-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide
LG3
LG3
表記:PYRIMIDINE-2,4-DIAMINE
組成式:C4 H6 N4
SMILES:n1c(N)ccnc1N
InChi:InChI=1S/C4H6N4/c5-3-1-2-7-4(6)8-3/h1-2H,(H4,5,6,7,8)
定義日:2005-11-04
最終更新日:2011-06-04
識別子（ID）:pyrimidine-2,4-diamine
BBQ
BBQ
表記:CYCLOPENTYL N-[(2S)-1-[(2S,4R)-2-[[(4R)-8-HYDROXY-1,6,10-TRIOXA-5$L^{4}-BORASPIRO[4.5]DECAN-4-YL]CARBAMOYL]-4-ISOQUINOLIN-1-YLOXY-PYRROLIDIN-1-YL]-3,3-DIMETHYL-1-OXO-BUTAN-2-YL]CARBAMATE
組成式:C32 H44 B N4 O9
SMILES:CC(C)(C)[CH](NC(=O)OC1CCCC1)C(=O)N2C[CH](C[CH]2C(=O)N[CH]3CCO[B]34OC[CH](O)CO4)Oc5nccc6ccccc56
InChi:InChI=1S/C32H44BN4O9/c1-32(2,3)27(36-31(41)46-22-9-5-6-10-22)30(40)37-17-23(45-29-24-11-7-4-8-20(24)12-14-34-29)16-25(37)28(39)35-26-13-15-42-33(26)43-18-21(38)19-44-33/h4,7-8,11-12,14,21-23,25-27,38H,5-6,9-10,13,15-19H2,1-3H3,(H,35,39)(H,36,41)/t23-,25+,26+,27-/m1/s1
定義日:2010-04-22
最終更新日:2011-06-04
識別子（ID）:cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(4R)-8-hydroxy-1,6,10-trioxa-5$l^{4}-boraspiro[4.5]decan-4-yl]carbamoyl]-4-isoquinolin-1-yloxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxo-butan-2-yl]carbamate
BBR
BBR
表記:(3-bromo-2-oxo-propoxy)phosphonic acid
組成式:C3 H6 Br O5 P
SMILES:O=P(O)(O)OCC(=O)CBr
InChi:InChI=1S/C3H6BrO5P/c4-1-3(5)2-9-10(6,7)8/h1-2H2,(H2,6,7,8)
定義日:2007-10-25
最終更新日:2011-06-04
識別子（ID）:3-bromo-2-oxopropyl dihydrogen phosphate
LG6
LG6
表記:L-GULURONIC ACID 6-PHOSPHATE
組成式:C6 H13 O10 P
SMILES:O=P(O)(O)OCC(O)C(O)C(O)C(O)C(=O)O
InChi:InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3+,4-,5-/m0/s1
定義日:2002-02-06
最終更新日:2011-06-04
識別子（ID）:6-O-phosphono-L-gulonic acid
1DA
1DA
表記:1-DEAZA-ADENOSINE
組成式:C11 H14 N4 O4
SMILES:n2c1c(N)ccnc1n(c2)C3OC(C(O)C3O)CO
InChi:InChI=1S/C11H14N4O4/c12-5-1-2-13-10-7(5)14-4-15(10)11-9(18)8(17)6(3-16)19-11/h1-2,4,6,8-9,11,16-18H,3H2,(H2,12,13)/t6-,8-,9-,11-/m1/s1
定義日:1999-10-08
最終更新日:2011-06-04
識別子（ID）:3-beta-D-ribofuranosyl-3H-imidazo[4,5-b]pyridin-7-amine
BBT
BBT
表記:2-HYDROXY-5-[4-(2-HYDROXY-ETHYL)-PIPERIDIN-1-YL]-5-PHENYL-1H-PYRIMIDINE-4,6-DIONE
組成式:C17 H21 N3 O4
SMILES:O=C2NC(=NC(=O)C2(c1ccccc1)N3CCC(CC3)CCO)O
InChi:InChI=1S/C17H21N3O4/c21-11-8-12-6-9-20(10-7-12)17(13-4-2-1-3-5-13)14(22)18-16(24)19-15(17)23/h1-5,12,21H,6-11H2,(H2,18,19,22,23,24)
定義日:2001-07-16
最終更新日:2011-06-04
識別子（ID）:(5R)-2-hydroxy-5-[4-(2-hydroxyethyl)piperidin-1-yl]-5-phenylpyrimidine-4,6(1H,5H)-dione
LG7
LG7
表記:4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-2(3H)-YL]-1-NAPHTHONITRILE
組成式:C17 H13 N3 O3
SMILES:N#Cc1c4c(c(cc1)N2C(=O)C3N(C2=O)CCC3O)cccc4
InChi:InChI=1S/C17H13N3O3/c18-9-10-5-6-13(12-4-2-1-3-11(10)12)20-16(22)15-14(21)7-8-19(15)17(20)23/h1-6,14-15,21H,7-8H2/t14-,15+/m1/s1
定義日:2006-09-28
最終更新日:2011-06-04
識別子（ID）:4-[(7R,7aS)-7-hydroxy-1,3-dioxotetrahydro-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl]naphthalene-1-carbonitrile
LGA
LGA
表記:PYRIMIDIN-2-AMINE
組成式:C4 H5 N3
SMILES:n1cccnc1N
InChi:InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)
定義日:2008-03-31
最終更新日:2011-06-04
識別子（ID）:pyrimidin-2-amine
BBY
BBY
表記:5-(7-bromo-1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-3-amine
組成式:C11 H10 Br N3 O2
SMILES:Brc1cc(cc2OCOc12)c3cc(nn3C)N
InChi:InChI=1S/C11H10BrN3O2/c1-15-8(4-10(13)14-15)6-2-7(12)11-9(3-6)16-5-17-11/h2-4H,5H2,1H3,(H2,13,14)
定義日:2010-09-29
最終更新日:2011-06-04
識別子（ID）:5-(7-bromo-1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-3-amine
1DG
1DG
表記:(4R)-ISONICOTINIC-ACETYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE
組成式:C27 H33 N8 O18 P3
SMILES:NC(=O)C1=CN(C=C[CH]1C(=O)c2ccncc2)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O[P](O)(O)=O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O
InChi:InChI=1S/C27H33N8O18P3/c28-23-17-25(32-10-31-23)35(11-33-17)27-22(52-54(41,42)43)20(38)16(51-27)9-49-56(46,47)53-55(44,45)48-8-15-19(37)21(39)26(50-15)34-6-3-13(14(7-34)24(29)40)18(36)12-1-4-30-5-2-12/h1-7,10-11,13,15-16,19-22,26-27,37-39H,8-9H2,(H2,29,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/t13-,15-,16-,19-,20-,21-,22-,26-,27-/m1/s1
定義日:2006-03-20
最終更新日:2011-06-04
識別子（ID）:[(2R,3S,4R,5R)-5-[(4R)-3-aminocarbonyl-4-pyridin-4-ylcarbonyl-4H-pyridin-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate
BC
BC
表記:BENZO[G]CHRYSENE
組成式:C22 H18 O3
SMILES:OC5c1c(c3c(cc1)c2ccccc2c4ccccc34)CC(O)C5O
InChi:InChI=1S/C22H18O3/c23-19-11-18-17(21(24)22(19)25)10-9-16-14-7-2-1-5-12(14)13-6-3-4-8-15(13)20(16)18/h1-10,19,21-25H,11H2/t19-,21-,22-/m0/s1
定義日:1999-08-17
最終更新日:2011-06-04
識別子（ID）:(11S,12S,13S)-11,12,13,14-tetrahydrobenzo[g]chrysene-11,12,13-triol
BC1
BC1
表記:3-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN-9-YL)CARBONYL]AMINO}PROPANOIC ACID
組成式:C19 H17 N3 O3
SMILES:O=C(O)CCNC(=O)C3(C#N)c1c(cccc1)N(c2c3cccc2)C
InChi:InChI=1S/C19H17N3O3/c1-22-15-8-4-2-6-13(15)19(12-20,14-7-3-5-9-16(14)22)18(25)21-11-10-17(23)24/h2-9H,10-11H2,1H3,(H,21,25)(H,23,24)
定義日:2002-06-18
最終更新日:2011-06-04
識別子（ID）:N-[(9-cyano-10-methyl-9,10-dihydroacridin-9-yl)carbonyl]-beta-alanine
LGJ
LGJ
表記:N-(3-FLUORO-2'-(METHYLSULFONYL)BIPHENYL-4-YL)-1-(3-(5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE
組成式:C26 H18 F4 N6 O4 S
SMILES:C[S](=O)(=O)c1ccccc1c2ccc(NC(=O)c3cc(nn3c4cccc(c4)C5=NNC(=O)N5)C(F)(F)F)c(F)c2
InChi:InChI=1S/C26H18F4N6O4S/c1-41(39,40)21-8-3-2-7-17(21)14-9-10-19(18(27)12-14)31-24(37)20-13-22(26(28,29)30)35-36(20)16-6-4-5-15(11-16)23-32-25(38)34-33-23/h2-13H,1H3,(H,31,37)(H2,32,33,34,38)
定義日:2009-12-17
最終更新日:2011-06-04
識別子（ID）:N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
1DM
1DM
表記:N-(2-MORPHOLIN-4-YL-1-MORPHOLIN-4-YLMETHYL-ETHYL)-3-NITRO-5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YLOXY)-BENZAMIDE
組成式:C24 H36 N4 O11
SMILES:[O-][N+](=O)c4cc(OC1OC(C(O)C(O)C1O)CO)cc(C(=O)NC(CN2CCOCC2)CN3CCOCC3)c4
InChi:InChI=1S/C24H36N4O11/c29-14-19-20(30)21(31)22(32)24(39-19)38-18-10-15(9-17(11-18)28(34)35)23(33)25-16(12-26-1-5-36-6-2-26)13-27-3-7-37-8-4-27/h9-11,16,19-22,24,29-32H,1-8,12-14H2,(H,25,33)/t19-,20+,21+,22-,24+/m1/s1
定義日:2003-07-17
最終更新日:2011-06-04
識別子（ID）:3-(alpha-D-galactopyranosyloxy)-N-[2-morpholin-4-yl-1-(morpholin-4-ylmethyl)ethyl]-5-nitrobenzamide
LGK
LGK
表記:6-(2'-(METHYLSULFONYL)BIPHENYL-4-YL)-1-(3-(5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-3-(TRIFLUOROMETHYL)-5,6-DIHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-7(4H)-ONE
組成式:C28 H21 F3 N6 O4 S
SMILES:C[S](=O)(=O)c1ccccc1c2ccc(cc2)N3CCc4c(n(nc4C(F)(F)F)c5cccc(c5)C6=NNC(=O)N6)C3=O
InChi:InChI=1S/C28H21F3N6O4S/c1-42(40,41)22-8-3-2-7-20(22)16-9-11-18(12-10-16)36-14-13-21-23(26(36)38)37(35-24(21)28(29,30)31)19-6-4-5-17(15-19)25-32-27(39)34-33-25/h2-12,15H,13-14H2,1H3,(H2,32,33,34,39)
定義日:2009-12-17
最終更新日:2011-06-04
識別子（ID）:6-[4-(2-methylsulfonylphenyl)phenyl]-1-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
LGL
LGL
表記:1-(3-(5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-6-(2'-(PYRROLIDIN-1-YLMETHYL)BIPHENYL-4-YL)-3-(TRIFLUOROMETHYL)-5,6-DIHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-7(4H)-ONE
組成式:C32 H28 F3 N7 O2
SMILES:FC(F)(F)c1nn(c2cccc(c2)C3=NNC(=O)N3)c4C(=O)N(CCc14)c5ccc(cc5)c6ccccc6CN7CCCC7
InChi:InChI=1S/C32H28F3N7O2/c33-32(34,35)28-26-14-17-41(23-12-10-20(11-13-23)25-9-2-1-6-22(25)19-40-15-3-4-16-40)30(43)27(26)42(39-28)24-8-5-7-21(18-24)29-36-31(44)38-37-29/h1-2,5-13,18H,3-4,14-17,19H2,(H2,36,37,38,44)
定義日:2009-12-17
最終更新日:2011-06-04
識別子（ID）:1-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-6-[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
LGM
LGM
表記:3-METHYL-1-(3-(5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-6-(2'-(PYRROLIDIN-1-YLMETHYL)BIPHENYL-4-YL)-5,6-DIHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-7(4H)-ONE
組成式:C32 H31 N7 O2
SMILES:Cc1nn(c2cccc(c2)C3=NNC(=O)N3)c4C(=O)N(CCc14)c5ccc(cc5)c6ccccc6CN7CCCC7
InChi:InChI=1S/C32H31N7O2/c1-21-27-15-18-38(25-13-11-22(12-14-25)28-10-3-2-7-24(28)20-37-16-4-5-17-37)31(40)29(27)39(36-21)26-9-6-8-23(19-26)30-33-32(41)35-34-30/h2-3,6-14,19H,4-5,15-18,20H2,1H3,(H2,33,34,35,41)
定義日:2009-12-17
最終更新日:2011-06-04
識別子（ID）:3-methyl-1-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-6-[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
1DR
1DR
表記:1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde
組成式:C15 H10 N2 O
SMILES:O=Cc4c3c(c2nc1c(cccc1)c2cc3)nc4
InChi:InChI=1S/C15H10N2O/c18-8-9-7-16-14-10(9)5-6-12-11-3-1-2-4-13(11)17-15(12)14/h1-8,16-17H
定義日:2009-09-11
最終更新日:2011-06-04
識別子（ID）:1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde
LGT
LGT
表記:L-GLUCARIC ACID
組成式:C6 H10 O8
SMILES:O=C(O)C(O)C(O)C(O)C(O)C(=O)O
InChi:InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m1/s1
定義日:2007-05-15
最終更新日:2011-06-04
識別子（ID）:L-glucaric acid
LGV
LGV
表記:N-({4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}methyl)-6-fluoropyridine-3-carboxamide
組成式:C19 H17 F N8 O
SMILES:Fc1ncc(cc1)C(=O)NCc3nn2c(ccc2)c(n3)Nc4cc(nn4)C5CC5
InChi:InChI=1S/C19H17FN8O/c20-15-6-5-12(9-21-15)19(29)22-10-17-24-18(14-2-1-7-28(14)27-17)23-16-8-13(25-26-16)11-3-4-11/h1-2,5-9,11H,3-4,10H2,(H,22,29)(H2,23,24,25,26,27)
定義日:2010-07-19
最終更新日:2011-06-04
識別子（ID）:N-({4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}methyl)-6-fluoropyridine-3-carboxamide
BD1
BD1
表記:3A,4,7,7A-TETRAHYDRO-BENZO [1,3] DIOXOL-2-ONE
組成式:C7 H10 O3
SMILES:O1C2CC=CCC2OC1O
InChi:InChI=1S/C7H10O3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-2,5-8H,3-4H2/t5-,6+,7+
定義日:2003-03-14
最終更新日:2011-06-04
識別子（ID）:(2r,3aR,7aS)-3a,4,7,7a-tetrahydro-1,3-benzodioxol-2-ol
BD5
BD5
表記:N-[(benzyloxy)carbonyl]-D-tyrosyl-L-phenylalanyl-L-tyrosine
組成式:C35 H35 N3 O8
SMILES:O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc2ccc(O)cc2)Cc3ccccc3)Cc4ccc(O)cc4
InChi:InChI=1S/C35H35N3O8/c39-27-15-11-24(12-16-27)20-30(38-35(45)46-22-26-9-5-2-6-10-26)33(42)36-29(19-23-7-3-1-4-8-23)32(41)37-31(34(43)44)21-25-13-17-28(40)18-14-25/h1-18,29-31,39-40H,19-22H2,(H,36,42)(H,37,41)(H,38,45)(H,43,44)/t29-,30+,31-/m0/s1
定義日:2009-06-22
最終更新日:2011-06-04
識別子（ID）:N-[(benzyloxy)carbonyl]-D-tyrosyl-L-phenylalanyl-L-tyrosine
BD9
BD9
表記:N-undecanoyl-L-histidyl-L-histidyl-N-methyl-N-(2-pyridin-2-ylethyl)-L-tyrosinamide
組成式:C40 H55 N9 O5
SMILES:O=C(N(CCc1ncccc1)C)C(NC(=O)C(NC(=O)C(NC(=O)CCCCCCCCCC)Cc2cncn2)Cc3ncnc3)Cc4ccc(O)cc4
InChi:InChI=1S/C40H55N9O5/c1-3-4-5-6-7-8-9-10-14-37(51)46-34(23-31-25-41-27-44-31)38(52)47-35(24-32-26-42-28-45-32)39(53)48-36(22-29-15-17-33(50)18-16-29)40(54)49(2)21-19-30-13-11-12-20-43-30/h11-13,15-18,20,25-28,34-36,50H,3-10,14,19,21-24H2,1-2H3,(H,41,44)(H,42,45)(H,46,51)(H,47,52)(H,48,53)/t34-,35-,36-/m0/s1
定義日:2009-06-22
最終更新日:2011-06-04
識別子（ID）:N-undecanoyl-L-histidyl-L-histidyl-N-methyl-N-(2-pyridin-2-ylethyl)-L-tyrosinamide
BDB
BDB
表記:4,4'-BIPHENYLDIBORONIC ACID
組成式:C12 H12 B2 O4
SMILES:OB(O)c1ccc(cc1)c2ccc(cc2)B(O)O
InChi:InChI=1S/C12H12B2O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8,15-18H
定義日:2001-11-20
最終更新日:2011-06-04
識別子（ID）:biphenyl-4,4'-diyldiboronic acid

223532

件を2024-08-07に公開中

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