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2IG
2IG
表記:6-ETHYL-5-[9-(3-METHOXYPROPYL)-9H-CARBAZOL-2-YL]PYRIMIDINE-2,4-DIAMINE
組成式:C22 H25 N5 O
SMILES:n1c(c(c(nc1N)N)c4ccc3c2ccccc2n(c3c4)CCCOC)CC
InChi:InChI=1S/C22H25N5O/c1-3-17-20(21(23)26-22(24)25-17)14-9-10-16-15-7-4-5-8-18(15)27(19(16)13-14)11-6-12-28-2/h4-5,7-10,13H,3,6,11-12H2,1-2H3,(H4,23,24,25,26)
定義日:2006-02-21
最終更新日:2011-06-04
識別子（ID）:6-ethyl-5-[9-(3-methoxypropyl)-9H-carbazol-2-yl]pyrimidine-2,4-diamine
2IM
2IM
表記:PIPERIDIN-2-IMINE
組成式:C5 H10 N2
SMILES:[N@H]=C1NCCCC1
InChi:InChI=1S/C5H10N2/c6-5-3-1-2-4-7-5/h1-4H2,(H2,6,7)
定義日:2005-09-12
最終更新日:2011-06-04
識別子（ID）:(2E)-piperidin-2-imine
2IN
2IN
表記:N-(BENZYLSULFONYL)SERYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}GLYCINAMIDE
組成式:C20 H25 N5 O5 S
SMILES:O=S(=O)(NC(C(=O)NCC(=O)NCc1ccc(C(=[N@H])N)cc1)CO)Cc2ccccc2
InChi:InChI=1S/C20H25N5O5S/c21-19(22)16-8-6-14(7-9-16)10-23-18(27)11-24-20(28)17(12-26)25-31(29,30)13-15-4-2-1-3-5-15/h1-9,17,25-26H,10-13H2,(H3,21,22)(H,23,27)(H,24,28)/t17-/m1/s1
定義日:2004-02-18
最終更新日:2011-06-04
識別子（ID）:N-(benzylsulfonyl)-D-seryl-N-(4-carbamimidoylbenzyl)glycinamide
2IP
2IP
表記:D-MYO-INOSITOL-1,4-BISPHOSPHATE
組成式:C6 H14 O12 P2
SMILES:O=P(OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1O)(O)O
InChi:InChI=1S/C6H14O12P2/c7-1-2(8)6(18-20(14,15)16)4(10)3(9)5(1)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3-,4+,5-,6+/m1/s1
定義日:2001-03-27
最終更新日:2011-06-04
識別子（ID）:(1R,2R,3R,4S,5R,6S)-2,3,5,6-tetrahydroxycyclohexane-1,4-diyl bis[dihydrogen (phosphate)]
O73
O73
表記:5-[(4-aminobutyl)amino]-1,2-dimethyl-3-[(4-nitrophenoxy)methyl]-1H-indole-4,7-dione
組成式:C21 H24 N4 O5
SMILES:[O-][N+](=O)c3ccc(OCc1c(n(c2c1C(=O)C(=CC2=O)NCCCCN)C)C)cc3
InChi:InChI=1S/C21H24N4O5/c1-13-16(12-30-15-7-5-14(6-8-15)25(28)29)19-20(24(13)2)18(26)11-17(21(19)27)23-10-4-3-9-22/h5-8,11,23H,3-4,9-10,12,22H2,1-2H3
定義日:2010-08-06
最終更新日:2011-06-04
識別子（ID）:5-[(4-aminobutyl)amino]-1,2-dimethyl-3-[(4-nitrophenoxy)methyl]-1H-indole-4,7-dione
2JZ
2JZ
表記:N~2~-(3,4-dimethoxyphenyl)-N~4~-[2-(2-fluorophenyl)ethyl]-N~6~-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine
組成式:C28 H26 F N7 O2
SMILES:Fc1ccccc1CCNc2nc(nc(n2)Nc3ccc(OC)c(OC)c3)Nc5cc4cccnc4cc5
InChi:InChI=1S/C28H26FN7O2/c1-37-24-12-10-21(17-25(24)38-2)33-28-35-26(31-15-13-18-6-3-4-8-22(18)29)34-27(36-28)32-20-9-11-23-19(16-20)7-5-14-30-23/h3-12,14,16-17H,13,15H2,1-2H3,(H3,31,32,33,34,35,36)
定義日:2009-05-04
最終更新日:2011-06-04
識別子（ID）:N~2~-(3,4-dimethoxyphenyl)-N~4~-[2-(2-fluorophenyl)ethyl]-N~6~-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine
O8A
O8A
表記:N-cyclopropyl-5-[2-methyl-5-(trifluoromethoxy)-1H-benzimidazol-1-yl]thiophene-2-carboxamide
組成式:C17 H14 F3 N3 O2 S
SMILES:FC(F)(F)Oc4cc3nc(n(c1sc(cc1)C(=O)NC2CC2)c3cc4)C
InChi:InChI=1S/C17H14F3N3O2S/c1-9-21-12-8-11(25-17(18,19)20)4-5-13(12)23(9)15-7-6-14(26-15)16(24)22-10-2-3-10/h4-8,10H,2-3H2,1H3,(H,22,24)
定義日:2010-08-10
最終更新日:2011-06-04
識別子（ID）:N-cyclopropyl-5-[2-methyl-5-(trifluoromethoxy)-1H-benzimidazol-1-yl]thiophene-2-carboxamide
2KL
2KL
表記:2-amino-4-[2,4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide
組成式:C21 H23 Cl2 N5 O2 S
SMILES:Clc4c(OCCN1CCCC1)cc(c2nc(nc3sc(cc23)C(=O)NCC)N)c(Cl)c4
InChi:InChI=1S/C21H23Cl2N5O2S/c1-2-25-19(29)17-10-13-18(26-21(24)27-20(13)31-17)12-9-16(15(23)11-14(12)22)30-8-7-28-5-3-4-6-28/h9-11H,2-8H2,1H3,(H,25,29)(H2,24,26,27)
定義日:2009-05-08
最終更新日:2011-06-04
識別子（ID）:2-amino-4-{2,4-dichloro-5-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide
O8H
O8H
表記:4-iodo-N-[(1-{2-oxo-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl}-1H-1,2,3-triazol-4-yl)methyl]benzenesulfonamide
組成式:C22 H22 I N7 O4 S2
SMILES:Ic1ccc(cc1)S(=O)(=O)NCc2nnn(c2)CC(=O)N5CCC(c3onc(n3)c4sccc4)CC5
InChi:InChI=1S/C22H22IN7O4S2/c23-16-3-5-18(6-4-16)36(32,33)24-12-17-13-30(28-26-17)14-20(31)29-9-7-15(8-10-29)22-25-21(27-34-22)19-2-1-11-35-19/h1-6,11,13,15,24H,7-10,12,14H2
定義日:2010-08-05
最終更新日:2011-06-04
識別子（ID）:4-iodo-N-{[1-(2-oxo-2-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}ethyl)-1H-1,2,3-triazol-4-yl]methyl}benzenesulfonamide
O8K
O8K
表記:(4Z,6R,7S,8S,9E)-7-hydroxy-8-methoxy-4,6-dimethylcyclotetradeca-4,9-dien-1-one
組成式:C17 H28 O3
SMILES:O=C1CCCCC=CC(OC)C(O)C(C=C(CC1)C)C
InChi:InChI=1S/C17H28O3/c1-13-10-11-15(18)8-6-4-5-7-9-16(20-3)17(19)14(2)12-13/h7,9,12,14,16-17,19H,4-6,8,10-11H2,1-3H3/b9-7+,13-12-/t14-,16+,17+/m1/s1
定義日:2010-08-12
最終更新日:2011-06-04
識別子（ID）:(4Z,6R,7S,8S,9E)-7-hydroxy-8-methoxy-4,6-dimethylcyclotetradeca-4,9-dien-1-one
O90
O90
表記:{3-chloro-4-[(3-{[7-propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy}propyl)sulfanyl]phenyl}acetic acid
組成式:C22 H21 Cl F3 N O4 S
SMILES:O=C(O)Cc3ccc(SCCCOc2ccc1c(onc1C(F)(F)F)c2CCC)c(Cl)c3
InChi:InChI=1S/C22H21ClF3NO4S/c1-2-4-14-17(7-6-15-20(14)31-27-21(15)22(24,25)26)30-9-3-10-32-18-8-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29)
定義日:2009-08-19
最終更新日:2011-06-04
識別子（ID）:{3-chloro-4-[(3-{[7-propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy}propyl)sulfanyl]phenyl}acetic acid
O96
O96
表記:N-[(1S)-3-amino-1-ethyl-2,3-dioxopropyl]-2-chloro-4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)benzamide
組成式:C19 H17 Cl F3 N3 O4
SMILES:O=C(N)C(=O)C(NC(=O)c2ccc(OCc1ncccc1)c(c2Cl)C(F)(F)F)CC
InChi:InChI=1S/C19H17ClF3N3O4/c1-2-12(16(27)17(24)28)26-18(29)11-6-7-13(14(15(11)20)19(21,22)23)30-9-10-5-3-4-8-25-10/h3-8,12H,2,9H2,1H3,(H2,24,28)(H,26,29)/t12-/m0/s1
定義日:2010-09-20
最終更新日:2011-06-04
識別子（ID）:N-[(3S)-1-amino-1,2-dioxopentan-3-yl]-2-chloro-4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)benzamide
2LG
2LG
表記:2-CHLORO-N-(3-CYANO-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHEN-2-YL)-5-DIETHYLSULFAMOYL-BENZAMIDE
組成式:C19 H20 Cl N3 O3 S2
SMILES:O=S(=O)(N(CC)CC)c1cc(c(Cl)cc1)C(=O)Nc2sc3c(c2C#N)CCC3
InChi:InChI=1S/C19H20ClN3O3S2/c1-3-23(4-2)28(25,26)12-8-9-16(20)14(10-12)18(24)22-19-15(11-21)13-6-5-7-17(13)27-19/h8-10H,3-7H2,1-2H3,(H,22,24)
定義日:2005-09-19
最終更新日:2011-06-04
識別子（ID）:2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(diethylsulfamoyl)benzamide
2LI
2LI
表記:N-[(1S,2R)-3-{[(5S)-5-(3-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide
組成式:C29 H36 F2 N4 O2
SMILES:Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)CNC4(c2cccc(c2)C(C)(C)C)CCc3c(cnn3)C4
InChi:InChI=1S/C29H36F2N4O2/c1-18(36)34-26(12-19-10-23(30)14-24(31)11-19)27(37)17-32-29(9-8-25-20(15-29)16-33-35-25)22-7-5-6-21(13-22)28(2,3)4/h5-7,10-11,13-14,16,26-27,32,37H,8-9,12,15,17H2,1-4H3,(H,33,35)(H,34,36)/t26-,27+,29-/m0/s1
定義日:2009-09-02
最終更新日:2011-06-04
識別子（ID）:N-[(2S,3R)-4-{[(5S)-5-(3-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
2LM
2LM
表記:(2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-4-(methylsulfanyl)butanoic acid
組成式:C13 H19 N2 O7 P S
SMILES:O=C(O)/C(=N/Cc1c(cnc(c1O)C)COP(=O)(O)O)CCSC
InChi:InChI=1S/C13H19N2O7PS/c1-8-12(16)10(6-15-11(13(17)18)3-4-24-2)9(5-14-8)7-22-23(19,20)21/h5,16H,3-4,6-7H2,1-2H3,(H,17,18)(H2,19,20,21)/b15-11+
定義日:2010-03-03
最終更新日:2011-06-04
識別子（ID）:(2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-4-(methylsulfanyl)butanoic acid
2LP
2LP
表記:2-ALLYLPHENOL
組成式:C9 H10 O
SMILES:Oc1ccccc1C/C=C
InChi:InChI=1S/C9H10O/c1-2-5-8-6-3-4-7-9(8)10/h2-4,6-7,10H,1,5H2
定義日:2003-03-27
最終更新日:2011-06-04
識別子（ID）:2-prop-2-en-1-ylphenol
2M3
2M3
表記:2-methyl-3-{(3S)-1-[(1-pyridin-2-ylcyclopropyl)carbonyl]pyrrolidin-3-yl}-1H-pyrrolo[2,3-b]pyridine
組成式:C21 H22 N4 O
SMILES:O=C(N3CC(c2c1cccnc1nc2C)CC3)C5(c4ncccc4)CC5
InChi:InChI=1S/C21H22N4O/c1-14-18(16-5-4-11-23-19(16)24-14)15-7-12-25(13-15)20(26)21(8-9-21)17-6-2-3-10-22-17/h2-6,10-11,15H,7-9,12-13H2,1H3,(H,23,24)/t15-/m1/s1
定義日:2009-03-27
最終更新日:2011-06-04
識別子（ID）:2-methyl-3-{(3S)-1-[(1-pyridin-2-ylcyclopropyl)carbonyl]pyrrolidin-3-yl}-1H-pyrrolo[2,3-b]pyridine
OA1
OA1
表記:(2-AMINO-1,3-OXAZOL-5-YL)-(3-BROMOPHENYL)METHANONE
組成式:C10 H7 Br N2 O2
SMILES:O=C(c1cccc(Br)c1)c2oc(nc2)N
InChi:InChI=1S/C10H7BrN2O2/c11-7-3-1-2-6(4-7)9(14)8-5-13-10(12)15-8/h1-5H,(H2,12,13)
定義日:2008-12-18
最終更新日:2011-06-04
識別子（ID）:(2-amino-1,3-oxazol-5-yl)(3-bromophenyl)methanone
OA2
OA2
表記:2-AMINO-N,N-BIS(PHENYLMETHYL)-1,3-OXAZOLE-5-CARBOXAMIDE
組成式:C18 H17 N3 O2
SMILES:O=C(N(Cc1ccccc1)Cc2ccccc2)c3oc(nc3)N
InChi:InChI=1S/C18H17N3O2/c19-18-20-11-16(23-18)17(22)21(12-14-7-3-1-4-8-14)13-15-9-5-2-6-10-15/h1-11H,12-13H2,(H2,19,20)
定義日:2008-12-18
最終更新日:2011-06-04
識別子（ID）:2-amino-N,N-dibenzyl-1,3-oxazole-5-carboxamide
OA3
OA3
表記:4-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
組成式:C10 H13 N3 O
SMILES:O=C2c1c(ncnc1N)CC(C2)(C)C
InChi:InChI=1S/C10H13N3O/c1-10(2)3-6-8(7(14)4-10)9(11)13-5-12-6/h5H,3-4H2,1-2H3,(H2,11,12,13)
定義日:2008-12-18
最終更新日:2011-06-04
識別子（ID）:4-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
2ME
2ME
表記:METHOXYETHANE
組成式:C3 H8 O
SMILES:methoxyethane
InChi:InChI=1S/C3H8O/c1-3-4-2/h3H2,1-2H3
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:ethyl methyl ether
OA4
OA4
表記:5-methyl-6-phenylquinazoline-2,4-diamine
組成式:C15 H14 N4
SMILES:n3c1c(c(c(cc1)c2ccccc2)C)c(nc3N)N
InChi:InChI=1S/C15H14N4/c1-9-11(10-5-3-2-4-6-10)7-8-12-13(9)14(16)19-15(17)18-12/h2-8H,1H3,(H4,16,17,18,19)
定義日:2008-12-18
最終更新日:2011-06-04
識別子（ID）:5-methyl-6-phenylquinazoline-2,4-diamine
OA5
OA5
表記:6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine
組成式:C11 H13 N5 O2
SMILES:O(c1nc(nc(n1)N)N)CCOc2ccccc2
InChi:InChI=1S/C11H13N5O2/c12-9-14-10(13)16-11(15-9)18-7-6-17-8-4-2-1-3-5-8/h1-5H,6-7H2,(H4,12,13,14,15,16)
定義日:2008-12-18
最終更新日:2011-06-04
識別子（ID）:6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine
2MG
2MG
表記:2N-METHYLGUANOSINE-5'-MONOPHOSPHATE
組成式:C11 H16 N5 O8 P
SMILES:O=C1c2ncn(c2N=C(NC)N1)C3OC(C(O)C3O)COP(=O)(O)O
InChi:InChI=1S/C11H16N5O8P/c1-12-11-14-8-5(9(19)15-11)13-3-16(8)10-7(18)6(17)4(24-10)2-23-25(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H2,20,21,22)(H2,12,14,15,19)/t4-,6-,7-,10-/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:N-methylguanosine 5'-(dihydrogen phosphate)
2MH
2MH
表記:cis-4-methylcyclohexanamine
組成式:C7 H15 N
SMILES:NC1CCC(C)CC1
InChi:InChI=1S/C7H15N/c1-6-2-4-7(8)5-3-6/h6-7H,2-5,8H2,1H3/t6-,7+
定義日:2007-08-06
最終更新日:2011-06-04
識別子（ID）:cis-4-methylcyclohexanamine

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