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A6T
A6T
Name:(1S,5R)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}-N-cyclopropyl-N-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide
Formula:C33 H32 Cl3 F2 N3 O2
SMILES:Clc1cccc(c1Cl)CN(C(=O)C4=C(c2ccc(cc2)CCCOc3c(F)ccc(F)c3Cl)CC5NC4CNC5)C6CC6
InChi:InChI=1S/C33H32Cl3F2N3O2/c34-25-5-1-4-21(30(25)35)18-41(23-10-11-23)33(42)29-24(15-22-16-39-17-28(29)40-22)20-8-6-19(7-9-20)3-2-14-43-32-27(38)13-12-26(37)31(32)36/h1,4-9,12-13,22-23,28,39-40H,2-3,10-11,14-18H2/t22-,28-/m0/s1
Definition date:2009-02-18
Last modified:2011-06-04
Identifier:(1S,5R)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}-N-cyclopropyl-N-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide
MA7
MA7
Name:1N-METHYLADENOSINE-5'-MONOPHOSPHATE
Formula:C11 H17 N5 O6 P
SMILES:O=P(O)(O)OCC3OC(n2cnc1c(N)[n+](cnc12)C)CC3O
InChi:InChI=1S/C11H16N5O6P/c1-15-4-14-11-9(10(15)12)13-5-16(11)8-2-6(17)7(22-8)3-21-23(18,19)20/h4-8,12,17H,2-3H2,1H3,(H2,18,19,20)/p+1/t6-,7+,8+/m0/s1
Definition date:2006-01-30
Last modified:2011-06-04
Identifier:2'-deoxy-1-methyladenosine 5'-(dihydrogen phosphate)
MAE
MAE
Name:MALEIC ACID
Formula:C4 H4 O4
SMILES:O=C(O)C=C/C(=O)O
InChi:InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1-
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(2Z)-but-2-enedioic acid
A74
A74
Name:2,5-DICHLORO-N-[5-METHOXY-7-(6-METHOXYPYRIDIN-3-YL)-1,3-BENZOXAZOL-2-YL]BENZENESULFONAMIDE
Formula:C20 H15 Cl2 N3 O5 S
SMILES:Clc1cc(c(Cl)cc1)S(=O)(=O)Nc2nc3cc(OC)cc(c3o2)c4ccc(OC)nc4
InChi:InChI=1S/C20H15Cl2N3O5S/c1-28-13-8-14(11-3-6-18(29-2)23-10-11)19-16(9-13)24-20(30-19)25-31(26,27)17-7-12(21)4-5-15(17)22/h3-10H,1-2H3,(H,24,25)
Definition date:2006-01-25
Last modified:2011-06-04
Identifier:2,5-dichloro-N-[5-methoxy-7-(6-methoxypyridin-3-yl)-1,3-benzoxazol-2-yl]benzenesulfonamide
A75
A75
Name:2-[(PHENYLSULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID
Formula:C17 H17 N O4 S
SMILES:O=S(=O)(c1ccccc1)Nc2ccc3c(c2C(=O)O)CCCC3
InChi:InChI=1S/C17H17NO4S/c19-17(20)16-14-9-5-4-6-12(14)10-11-15(16)18-23(21,22)13-7-2-1-3-8-13/h1-3,7-8,10-11,18H,4-6,9H2,(H,19,20)
Definition date:2005-03-04
Last modified:2011-06-04
Identifier:2-[(phenylsulfonyl)amino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
A76
A76
Name:N-{1-BENZYL-(2R,3R)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE
Formula:C44 H58 N8 O6
SMILES:O=C(N(Cc1ncccc1)C)NC(C(=O)NC(Cc2ccccc2)C(O)C(O)C(NC(=O)C(NC(=O)N(C)Cc3ncccc3)C(C)C)Cc4ccccc4)C(C)C
InChi:InChI=1S/C44H58N8O6/c1-29(2)37(49-43(57)51(5)27-33-21-13-15-23-45-33)41(55)47-35(25-31-17-9-7-10-18-31)39(53)40(54)36(26-32-19-11-8-12-20-32)48-42(56)38(30(3)4)50-44(58)52(6)28-34-22-14-16-24-46-34/h7-24,29-30,35-40,53-54H,25-28H2,1-6H3,(H,47,55)(H,48,56)(H,49,57)(H,50,58)/t35-,36-,37-,38-,39+,40+/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(3-methyl-2-{[methyl(pyridin-2-ylmethyl)carbamoyl]amino}butanamide) (non-preferred name)
A77
A77
Name:N-{1-BENZYL-(2R,3S)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE
Formula:C44 H58 N8 O6
SMILES:O=C(N(Cc1ncccc1)C)NC(C(=O)NC(Cc2ccccc2)C(O)C(O)C(NC(=O)C(NC(=O)N(C)Cc3ncccc3)C(C)C)Cc4ccccc4)C(C)C
InChi:InChI=1S/C44H58N8O6/c1-29(2)37(49-43(57)51(5)27-33-21-13-15-23-45-33)41(55)47-35(25-31-17-9-7-10-18-31)39(53)40(54)36(26-32-19-11-8-12-20-32)48-42(56)38(30(3)4)50-44(58)52(6)28-34-22-14-16-24-46-34/h7-24,29-30,35-40,53-54H,25-28H2,1-6H3,(H,47,55)(H,48,56)(H,49,57)(H,50,58)/t35-,36-,37-,38-,39-,40+/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(2S)-N-[(1S,2R,3S,4S)-1-benzyl-2,3-dihydroxy-4-{[(2S)-3-methyl-2-{[methyl(pyridin-2-ylmethyl)carbamoyl]amino}butanoyl]amino}-5-phenylpentyl]-3-methyl-2-{[methyl(pyridin-2-ylmethyl)carbamoyl]amino}butanamide (non-preferred name)
MAJ
MAJ
Name:indane-5-sulfonamide
Formula:C9 H11 N O2 S
SMILES:O=S(=O)(c1ccc2c(c1)CCC2)N
InChi:InChI=1S/C9H11NO2S/c10-13(11,12)9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2,(H2,10,11,12)
Definition date:2007-09-04
Last modified:2011-06-04
Identifier:2,3-dihydro-1H-indene-5-sulfonamide
A78
A78
Name:N-{1-BENZYL-3-HYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE
Formula:C44 H60 N8 O5
SMILES:O=C(N(Cc1[nH+]cccc1)C)NC(C(=O)NC(Cc2ccccc2)CC(O)C(NC(=O)C(NC(=O)N(C)Cc3[nH+]cccc3)C(C)C)Cc4ccccc4)C(C)C
InChi:InChI=1S/C44H58N8O5/c1-30(2)39(49-43(56)51(5)28-34-21-13-15-23-45-34)41(54)47-36(25-32-17-9-7-10-18-32)27-38(53)37(26-33-19-11-8-12-20-33)48-42(55)40(31(3)4)50-44(57)52(6)29-35-22-14-16-24-46-35/h7-24,30-31,36-40,53H,25-29H2,1-6H3,(H,47,54)(H,48,55)(H,49,56)(H,50,57)/p+2/t36-,37-,38-,39-,40-/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:2-[(5S,8S,10S,11S,14S)-8,11-dibenzyl-10-hydroxy-2,17-dimethyl-5,14-bis(1-methylethyl)-3,6,13,16-tetraoxo-18-pyridinium-2-yl-2,4,7,12,15,17-hexaazaoctadec-1-yl]pyridinium (non-preferred name)
A79
A79
Name:N-{1-BENZYL-(2S,3S)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE
Formula:C44 H58 N8 O6
SMILES:O=C(N(Cc1ncccc1)C)NC(C(=O)NC(Cc2ccccc2)C(O)C(O)C(NC(=O)C(NC(=O)N(C)Cc3ncccc3)C(C)C)Cc4ccccc4)C(C)C
InChi:InChI=1S/C44H58N8O6/c1-29(2)37(49-43(57)51(5)27-33-21-13-15-23-45-33)41(55)47-35(25-31-17-9-7-10-18-31)39(53)40(54)36(26-32-19-11-8-12-20-32)48-42(56)38(30(3)4)50-44(58)52(6)28-34-22-14-16-24-46-34/h7-24,29-30,35-40,53-54H,25-28H2,1-6H3,(H,47,55)(H,48,56)(H,49,57)(H,50,58)/t35-,36-,37-,38-,39-,40-/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(2S,2'S)-N,N'-[(2S,3S,4S,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(3-methyl-2-{[methyl(pyridin-2-ylmethyl)carbamoyl]amino}butanamide) (non-preferred name)
MAO
MAO
Name:5'-DEOXY-5'-[N-METHYL-N-(2-AMINOOXYETHYL) AMINO]ADENOSINE
Formula:C13 H21 N7 O4
SMILES:n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CN(CCON)C)N
InChi:InChI=1S/C13H21N7O4/c1-19(2-3-23-15)4-7-9(21)10(22)13(24-7)20-6-18-8-11(14)16-5-17-12(8)20/h5-7,9-10,13,21-22H,2-4,15H2,1H3,(H2,14,16,17)/t7-,9-,10-,13-/m1/s1
Definition date:2001-03-12
Last modified:2011-06-04
Identifier:5'-{[2-(aminooxy)ethyl](methyl)amino}-5'-deoxyadenosine
MAQ
MAQ
Name:2-AMINO-8-METHYLQUINAZOLIN-4(3H)-ONE
Formula:C9 H9 N3 O
SMILES:O=C2N=C(Nc1c2cccc1C)N
InChi:InChI=1S/C9H9N3O/c1-5-3-2-4-6-7(5)11-9(10)12-8(6)13/h2-4H,1H3,(H3,10,11,12,13)
Definition date:2004-01-15
Last modified:2011-06-04
Identifier:2-amino-8-methylquinazolin-4(1H)-one
MAS
MAS
Name:dimethylsulfamic acid
Formula:C2 H7 N O3 S
SMILES:O=S(=O)(O)N(C)C
InChi:InChI=1S/C2H7NO3S/c1-3(2)7(4,5)6/h1-2H3,(H,4,5,6)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:dimethylsulfamic acid
MB1
MB1
Name:2-chloro-5-nitrobenzenesulfonamide
Formula:C6 H5 Cl N2 O4 S
SMILES:O=S(=O)(c1cc(ccc1Cl)[N+]([O-])=O)N
InChi:InChI=1S/C6H5ClN2O4S/c7-5-2-1-4(9(10)11)3-6(5)14(8,12)13/h1-3H,(H2,8,12,13)
Definition date:2007-09-04
Last modified:2011-06-04
Identifier:2-chloro-5-nitrobenzenesulfonamide
A85
A85
Name:N-{1-BENZYL-2,2-DIFLUORO-3,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE
Formula:C44 H56 F2 N8 O6
SMILES:O=C(N(Cc1ncccc1)C)NC(C(=O)NC(Cc2ccccc2)C(F)(F)C(O)(O)C(NC(=O)C(NC(=O)N(C)Cc3ncccc3)C(C)C)Cc4ccccc4)C(C)C
InChi:InChI=1S/C44H56F2N8O6/c1-29(2)37(51-41(57)53(5)27-33-21-13-15-23-47-33)39(55)49-35(25-31-17-9-7-10-18-31)43(45,46)44(59,60)36(26-32-19-11-8-12-20-32)50-40(56)38(30(3)4)52-42(58)54(6)28-34-22-14-16-24-48-34/h7-24,29-30,35-38,59-60H,25-28H2,1-6H3,(H,49,55)(H,50,56)(H,51,57)(H,52,58)/t35-,36-,37-,38-/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(2S,2'S)-N,N'-[(2S,5S)-3,3-difluoro-4,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(3-methyl-2-{[methyl(pyridin-2-ylmethyl)carbamoyl]amino}butanamide) (non-preferred name)
MBH
MBH
Name:(1R)-1-benzyl-1-(carboxymethyl)-1-methyldiazanium
Formula:C10 H15 N2 O2
SMILES:O=C(O)C[N+](N)(Cc1ccccc1)C
InChi:InChI=1S/C10H14N2O2/c1-12(11,8-10(13)14)7-9-5-3-2-4-6-9/h2-6H,7-8,11H2,1H3/p+1/t12-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(1R)-1-benzyl-1-(carboxymethyl)-1-methylhydrazinium
MBM
MBM
Name:N-{N'-(2-methyl-1-benzofuran-5-yl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl}pyridine-3-carboxamide
Formula:C28 H32 N6 O4
SMILES:O=C2N(CC(=O)N1CCCC1)CCCCC2N/C(=Nc4cc3c(oc(c3)C)cc4)NC(=O)c5cccnc5
InChi:InChI=1S/C28H32N6O4/c1-19-15-21-16-22(9-10-24(21)38-19)30-28(32-26(36)20-7-6-11-29-17-20)31-23-8-2-3-14-34(27(23)37)18-25(35)33-12-4-5-13-33/h6-7,9-11,15-17,23H,2-5,8,12-14,18H2,1H3,(H2,30,31,32,36)/t23-/m0/s1
Definition date:2009-10-22
Last modified:2011-06-04
Identifier:N-[N'-(2-methyl-1-benzofuran-5-yl)-N-{(3S)-2-oxo-1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]azepan-3-yl}carbamimidoyl]pyridine-3-carboxamide
A8M
A8M
Name:5'-[(3-aminopropyl)(methyl)amino]-5'-deoxy-8-methyladenosine
Formula:C15 H25 N7 O3
SMILES:n2c1c(ncnc1n(c2C)C3OC(C(O)C3O)CN(CCCN)C)N
InChi:InChI=1S/C15H25N7O3/c1-8-20-10-13(17)18-7-19-14(10)22(8)15-12(24)11(23)9(25-15)6-21(2)5-3-4-16/h7,9,11-12,15,23-24H,3-6,16H2,1-2H3,(H2,17,18,19)/t9-,11-,12-,15-/m1/s1
Definition date:2008-07-31
Last modified:2011-06-04
Identifier:5'-[(3-aminopropyl)(methyl)amino]-5'-deoxy-8-methyladenosine
MBZ
MBZ
Name:1-[2-DEOXYRIBOFURANOSYL]-4-METHYL-BENZOIMIDAZOLE-5'-MONOPHOSPHATE
Formula:C13 H17 N2 O6 P
SMILES:O=P(O)(O)OCC3OC(n2cnc1c(cccc12)C)CC3O
InChi:InChI=1S/C13H17N2O6P/c1-8-3-2-4-9-13(8)14-7-15(9)12-5-10(16)11(21-12)6-20-22(17,18)19/h2-4,7,10-12,16H,5-6H2,1H3,(H2,17,18,19)/t10-,11+,12+/m0/s1
Definition date:2000-02-03
Last modified:2011-06-04
Identifier:1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-4-methyl-1H-benzimidazole
MC2
MC2
Name:N2-(L-PHENYLALANYL)-N1-(NAPHTHALENYL)-L-ARIGNINAMIDE
Formula:C25 H30 N6 O2
SMILES:O=C(NC(C(=O)Nc2ccc1c(cccc1)c2)CCCNC(=[N@H])N)C(N)Cc3ccccc3
InChi:InChI=1S/C25H30N6O2/c26-21(15-17-7-2-1-3-8-17)23(32)31-22(11-6-14-29-25(27)28)24(33)30-20-13-12-18-9-4-5-10-19(18)16-20/h1-5,7-10,12-13,16,21-22H,6,11,14-15,26H2,(H,30,33)(H,31,32)(H4,27,28,29)/t21-,22-/m0/s1
Definition date:2004-10-08
Last modified:2011-06-04
Identifier:L-phenylalanyl-N-naphthalen-2-yl-L-argininamide
A91
A91
Name:3-({2-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)ETHYNYL]BENZYL}AMINO)-1,3-OXAZOL-2(3H)-ONE
Formula:C17 H15 N5 O2
SMILES:O=C3OC=CN3NCc2ccccc2C#Cc1nc(nc(c1)C)N
InChi:InChI=1S/C17H15N5O2/c1-12-10-15(21-16(18)20-12)7-6-13-4-2-3-5-14(13)11-19-22-8-9-24-17(22)23/h2-5,8-10,19H,11H2,1H3,(H2,18,20,21)
Definition date:2007-07-05
Last modified:2011-06-04
Identifier:3-({2-[(2-amino-6-methylpyrimidin-4-yl)ethynyl]benzyl}amino)-1,3-oxazol-2(3H)-one
MCA
MCA
Name:METHYLMALONYL-COENZYME A
Formula:C25 H40 N7 O19 P3 S
SMILES:O=C(O)C(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C
InChi:InChI=1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t12-,13-,16-,17-,18+,22-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(3S,5R,9R,20R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8,20-trimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicosan-21-oic acid 3,5-dioxide (non-preferred name)
A92
A92
Name:2-{2-fluoro-4-[(2S)-piperidin-2-yl]phenyl}-1H-benzimidazole-7-carboxamide
Formula:C19 H19 F N4 O
SMILES:NC(=O)c1cccc2nc([nH]c12)c3ccc(cc3F)[CH]4CCCCN4
InChi:InChI=1S/C19H19FN4O/c20-14-10-11(15-5-1-2-9-22-15)7-8-12(14)19-23-16-6-3-4-13(18(21)25)17(16)24-19/h3-4,6-8,10,15,22H,1-2,5,9H2,(H2,21,25)(H,23,24)/t15-/m0/s1
Definition date:2010-01-21
Last modified:2011-06-04
Identifier:2-[2-fluoro-4-[(2S)-piperidin-2-yl]phenyl]-3H-benzimidazole-4-carboxamide
MCD
MCD
Name:METHYLMALONYL(CARBADETHIA)-COENZYME A
Formula:C26 H42 N7 O19 P3
SMILES:O=C(O)C(C(=O)CCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C
InChi:InChI=1S/C26H42N7O19P3/c1-13(25(39)40)14(34)5-4-7-28-16(35)6-8-29-23(38)20(37)26(2,3)10-49-55(46,47)52-54(44,45)48-9-15-19(51-53(41,42)43)18(36)24(50-15)33-12-32-17-21(27)30-11-31-22(17)33/h11-13,15,18-20,24,36-37H,4-10H2,1-3H3,(H,28,35)(H,29,38)(H,39,40)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/t13-,15+,18+,19+,20-,24+/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(3S,5R,9R,20S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8,20-trimethyl-10,14,19-trioxo-2,4,6-trioxa-11,15-diaza-3,5-diphosphahenicosan-21-oic acid 3,5-dioxide (non-preferred name)
MCF
MCF
Name:(8R)-3-(5-S-methyl-5-thio-beta-D-ribofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol
Formula:C12 H18 N4 O4 S
SMILES:n2c1c(N=CNCC1O)n(c2)C3OC(C(O)C3O)CSC
InChi:InChI=1S/C12H18N4O4S/c1-21-3-7-9(18)10(19)12(20-7)16-5-15-8-6(17)2-13-4-14-11(8)16/h4-7,9-10,12,17-19H,2-3H2,1H3,(H,13,14)/t6-,7-,9-,10-,12-/m1/s1
Definition date:2008-10-17
Last modified:2011-06-04
Identifier:(8R)-3-(5-S-methyl-5-thio-beta-D-ribofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol

223532

數據於2024-08-07公開中

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