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M2N
M2N
表記:5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
組成式:C18 H15 N5
SMILES:n1c(c2c(nc1N)nc(c2c3ccccc3)c4ccccc4)N
InChi:InChI=1S/C18H15N5/c19-16-14-13(11-7-3-1-4-8-11)15(12-9-5-2-6-10-12)21-17(14)23-18(20)22-16/h1-10H,(H5,19,20,21,22,23)
定義日:2014-01-15
最終更新日:2015-01-16
公開日:2015-01-21
識別子（ID）:5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
M4V
M4V
表記:2-amino-6-(4-bromophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
組成式:C18 H13 Br N4 O
SMILES:Brc4ccc(c2c(c1c(N=C(N)NC1=O)n2)c3ccccc3)cc4
InChi:InChI=1S/C18H13BrN4O/c19-12-8-6-11(7-9-12)15-13(10-4-2-1-3-5-10)14-16(21-15)22-18(20)23-17(14)24/h1-9H,(H4,20,21,22,23,24)
定義日:2014-01-16
最終更新日:2015-01-16
公開日:2015-01-21
識別子（ID）:2-amino-6-(4-bromophenyl)-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
64D
64D
表記:4-({[(4-chlorophenyl)sulfonyl]amino}methyl)piperidine-1-carboxylic acid
組成式:C13 H17 Cl N2 O4 S
SMILES:Clc1ccc(cc1)S(=O)(=O)NCC2CCN(C(=O)O)CC2
InChi:InChI=1S/C13H17ClN2O4S/c14-11-1-3-12(4-2-11)21(19,20)15-9-10-5-7-16(8-6-10)13(17)18/h1-4,10,15H,5-9H2,(H,17,18)
定義日:2014-07-30
最終更新日:2015-01-16
公開日:2015-01-21
識別子（ID）:4-({[(4-chlorophenyl)sulfonyl]amino}methyl)piperidine-1-carboxylic acid
3KX
3KX
表記:6-(cyclohexylmethyl)-4-hydroxy-3-phenylpyridin-2(1H)-one
組成式:C18 H21 N O2
SMILES:O=C2C(c1ccccc1)=C(O)C=C(N2)CC3CCCCC3
InChi:InChI=1S/C18H21NO2/c20-16-12-15(11-13-7-3-1-4-8-13)19-18(21)17(16)14-9-5-2-6-10-14/h2,5-6,9-10,12-13H,1,3-4,7-8,11H2,(H2,19,20,21)
定義日:2014-09-10
最終更新日:2015-01-16
公開日:2015-01-21
識別子（ID）:6-(cyclohexylmethyl)-4-hydroxy-3-phenylpyridin-2(1H)-one
3KY
3KY
表記:6-[(4,4-dimethylcyclohexyl)methyl]-4-hydroxy-3-phenylpyridin-2(1H)-one
組成式:C20 H25 N O2
SMILES:O=C2C(c1ccccc1)=C(O)C=C(N2)CC3CCC(C)(C)CC3
InChi:InChI=1S/C20H25NO2/c1-20(2)10-8-14(9-11-20)12-16-13-17(22)18(19(23)21-16)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3,(H2,21,22,23)
定義日:2014-09-10
最終更新日:2015-01-16
公開日:2015-01-21
識別子（ID）:6-[(4,4-dimethylcyclohexyl)methyl]-4-hydroxy-3-phenylpyridin-2(1H)-one
3LL
3LL
表記:(5S)-7-(2-fluoropyridin-3-yl)-3-[(3-methyloxetan-3-yl)ethynyl]spiro[chromeno[2,3-b]pyridine-5,4'-[1,3]oxazol]-2'-amine
組成式:C25 H19 F N4 O3
SMILES:Fc1ncccc1c6cc5c(Oc3ncc(C#CC2(C)COC2)cc3C54N=C(OC4)N)cc6
InChi:InChI=1S/C25H19FN4O3/c1-24(12-31-13-24)7-6-15-9-19-22(29-11-15)33-20-5-4-16(17-3-2-8-28-21(17)26)10-18(20)25(19)14-32-23(27)30-25/h2-5,8-11H,12-14H2,1H3,(H2,27,30)/t25-/m0/s1
定義日:2014-09-16
最終更新日:2015-01-16
公開日:2015-01-21
識別子（ID）:(5S)-7-(2-fluoropyridin-3-yl)-3-[(3-methyloxetan-3-yl)ethynyl]spiro[chromeno[2,3-b]pyridine-5,4'-[1,3]oxazol]-2'-amine
3UA
3UA
表記:(2R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,3,4,4-tetrafluorotetrahydrofuran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
組成式:C15 H20 F4 N2 O15 P2
SMILES:O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(F)(F)C3(F)F)C(O)CO)O)O
InChi:InChI=1S/C15H20F4N2O15P2/c16-14(17)10(5(23)3-22)34-12(15(14,18)19)35-38(30,31)36-37(28,29)32-4-6-8(25)9(26)11(33-6)21-2-1-7(24)20-13(21)27/h1-2,5-6,8-12,22-23,25-26H,3-4H2,(H,28,29)(H,30,31)(H,20,24,27)/t5-,6-,8-,9-,10+,11-,12-/m1/s1
定義日:2014-10-31
最終更新日:2015-01-16
公開日:2015-01-21
識別子（ID）:(2R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,3,4,4-tetrafluorotetrahydrofuran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
3UC
3UC
表記:[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,5S,6R)-3,3,4,4-tetrafluoro-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)
組成式:C15 H20 F4 N2 O15 P2
SMILES:O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(F)(F)C3(F)F)CO)O)O
InChi:InChI=1S/C15H20F4N2O15P2/c16-14(17)10(26)5(3-22)34-12(15(14,18)19)35-38(30,31)36-37(28,29)32-4-6-8(24)9(25)11(33-6)21-2-1-7(23)20-13(21)27/h1-2,5-6,8-12,22,24-26H,3-4H2,(H,28,29)(H,30,31)(H,20,23,27)/t5-,6-,8-,9-,10+,11-,12-/m1/s1
定義日:2014-10-31
最終更新日:2015-01-16
公開日:2015-01-21
識別子（ID）:[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,5S,6R)-3,3,4,4-tetrafluoro-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)
3V6
3V6
表記:Bactobolin A
組成式:C15 H22 Cl2 N2 O5
SMILES:ClC(Cl)C2(OC(=O)C1=C(O)CC(C(O)C1C2NC(=O)C(N)C)C)C
InChi:InChI=1S/C15H22Cl2N2O5/c1-5-4-7(20)8-9(10(5)21)11(19-12(22)6(2)18)15(3,14(16)17)24-13(8)23/h5-6,9-11,14,20-21H,4,18H2,1-3H3,(H,19,22)/t5-,6+,9+,10+,11-,15+/m1/s1
定義日:2014-11-11
最終更新日:2015-01-16
公開日:2015-01-21
識別子（ID）:N-[(3S,4R,4aR,5S,6R)-3-(dichloromethyl)-5,8-dihydroxy-3,6-dimethyl-1-oxo-3,4,4a,5,6,7-hexahydro-1H-isochromen-4-yl]-L-alaninamide
7SB
7SB
表記:N-(4-chlorobenzyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine
組成式:C13 H11 Cl N4 O
SMILES:Clc1ccc(cc1)CNc2nnc(n2)c3occc3
InChi:InChI=1S/C13H11ClN4O/c14-10-5-3-9(4-6-10)8-15-13-16-12(17-18-13)11-2-1-7-19-11/h1-7H,8H2,(H2,15,16,17,18)
定義日:2014-01-13
最終更新日:2015-01-16
公開日:2015-01-21
識別子（ID）:N-(4-chlorobenzyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine
40R
40R
表記:1-butyl-1H-1,2,4-triazole
組成式:C6 H11 N3
SMILES:n1cn(nc1)CCCC
InChi:InChI=1S/C6H11N3/c1-2-3-4-9-6-7-5-8-9/h5-6H,2-4H2,1H3
定義日:2015-01-07
最終更新日:2015-01-16
公開日:2015-01-21
識別子（ID）:1-butyl-1H-1,2,4-triazole
EG6
EG6
表記:N-({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)-L-serine
組成式:C15 H13 F3 N2 O4 S
SMILES:O=C(O)C(NC(=O)c1sc(nc1C)c2ccc(cc2)C(F)(F)F)CO
InChi:InChI=1S/C15H13F3N2O4S/c1-7-11(12(22)20-10(6-21)14(23)24)25-13(19-7)8-2-4-9(5-3-8)15(16,17)18/h2-5,10,21H,6H2,1H3,(H,20,22)(H,23,24)
定義日:2014-09-22
最終更新日:2015-01-16
公開日:2015-01-21
識別子（ID）:N-({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)-L-serine
H0V
H0V
表記:5-phenethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
組成式:C14 H15 N5
SMILES:n1c(c2c(nc1N)ncc2CCc3ccccc3)N
InChi:InChI=1S/C14H15N5/c15-12-11-10(7-6-9-4-2-1-3-5-9)8-17-13(11)19-14(16)18-12/h1-5,8H,6-7H2,(H5,15,16,17,18,19)
定義日:2014-01-15
最終更新日:2015-01-16
公開日:2015-01-21
識別子（ID）:5-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
AOB
AOB
表記:(E)-2-amino-4-oxo-6-styryl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
組成式:C15 H11 N5 O
SMILES:N#Cc1c(nc2N=C(N)NC(=O)c12)C=Cc3ccccc3
InChi:InChI=1S/C15H11N5O/c16-8-10-11(7-6-9-4-2-1-3-5-9)18-13-12(10)14(21)20-15(17)19-13/h1-7H,(H4,17,18,19,20,21)/b7-6+
定義日:2014-01-15
最終更新日:2015-01-16
公開日:2015-01-21
識別子（ID）:2-amino-4-oxo-6-[(E)-2-phenylethenyl]-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
FQW
FQW
表記:2-amino-5-phenethyl-6-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
組成式:C20 H18 N4 O
SMILES:O=C1c2c(c(nc2N=C(N)N1)c3ccccc3)CCc4ccccc4
InChi:InChI=1S/C20H18N4O/c21-20-23-18-16(19(25)24-20)15(12-11-13-7-3-1-4-8-13)17(22-18)14-9-5-2-6-10-14/h1-10H,11-12H2,(H4,21,22,23,24,25)
定義日:2014-01-16
最終更新日:2015-01-16
公開日:2015-01-21
識別子（ID）:2-amino-6-phenyl-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
EWW
EWW
表記:2-chloro-4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
組成式:C13 H12 Cl N3 O4 S2
SMILES:O=C2C=C(N=C(SCC(=O)c1ccc(c(Cl)c1)S(=O)(=O)N)N2)C
InChi:InChI=1S/C13H12ClN3O4S2/c1-7-4-12(19)17-13(16-7)22-6-10(18)8-2-3-11(9(14)5-8)23(15,20)21/h2-5H,6H2,1H3,(H2,15,20,21)(H,16,17,19)
定義日:2014-07-23
最終更新日:2015-01-16
公開日:2015-01-21
識別子（ID）:2-chloro-4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
EWY
EWY
表記:3-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
組成式:C13 H13 N3 O4 S2
SMILES:O=C2C=C(N=C(SCC(=O)c1cccc(c1)S(=O)(=O)N)N2)C
InChi:InChI=1S/C13H13N3O4S2/c1-8-5-12(18)16-13(15-8)21-7-11(17)9-3-2-4-10(6-9)22(14,19)20/h2-6H,7H2,1H3,(H2,14,19,20)(H,15,16,18)
定義日:2014-07-24
最終更新日:2015-01-16
公開日:2015-01-21
識別子（ID）:3-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
EWZ
EWZ
表記:5-{[(4-tert-butyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide
組成式:C16 H18 Cl N3 O4 S2
SMILES:O=C2C=C(N=C(SCC(=O)c1ccc(Cl)c(c1)S(=O)(=O)N)N2)C(C)(C)C
InChi:InChI=1S/C16H18ClN3O4S2/c1-16(2,3)13-7-14(22)20-15(19-13)25-8-11(21)9-4-5-10(17)12(6-9)26(18,23)24/h4-7H,8H2,1-3H3,(H2,18,23,24)(H,19,20,22)
定義日:2014-07-24
最終更新日:2015-01-16
公開日:2015-01-21
識別子（ID）:5-{[(4-tert-butyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide
4NR
4NR
表記:5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
組成式:C12 H10 F N5
SMILES:Fc3ccc(C1=CN=C2C1=C(N=C(N)N2)N)cc3
InChi:InChI=1S/C12H10FN5/c13-7-3-1-6(2-4-7)8-5-16-11-9(8)10(14)17-12(15)18-11/h1-5H,(H5,14,15,16,17,18)
定義日:2014-01-15
最終更新日:2015-01-16
公開日:2015-01-21
識別子（ID）:5-(4-fluorophenyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
B4S
B4S
表記:3'-fluoro-4'-(trifluoromethyl)biphenyl-4-sulfonamide
組成式:C13 H9 F4 N O2 S
SMILES:O=S(=O)(N)c2ccc(c1ccc(c(F)c1)C(F)(F)F)cc2
InChi:InChI=1S/C13H9F4NO2S/c14-12-7-9(3-6-11(12)13(15,16)17)8-1-4-10(5-2-8)21(18,19)20/h1-7H,(H2,18,19,20)
定義日:2014-01-16
最終更新日:2015-01-16
公開日:2015-01-21
識別子（ID）:3'-fluoro-4'-(trifluoromethyl)biphenyl-4-sulfonamide
PUN
PUN
表記:2,2,4,4,6,6,8-heptamethylnonane
組成式:C16 H34
SMILES:CC(CC(CC(CC(C)C)(C)C)(C)C)(C)C
InChi:InChI=1S/C16H34/c1-13(2)10-15(6,7)12-16(8,9)11-14(3,4)5/h13H,10-12H2,1-9H3
定義日:2014-07-24
最終更新日:2015-01-09
公開日:2015-01-14
識別子（ID）:2,2,4,4,6,6,8-heptamethylnonane
UCG
UCG
表記:3'-O-[(R)-{[(2R,3aR,4R,6R,6aR)-6-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-hydroxy-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]uridine 5'-(dihydrogen phosphate)
組成式:C19 H24 N7 O18 P3
SMILES:O=P(O)(O)OCC6OC(N1C=CC(=O)NC1=O)C(O)C6OP(=O)(O)OCC4OC(n2c3N=C(N)NC(=O)c3nc2)C5OP(=O)(O)OC45
InChi:InChI=1S/C19H24N7O18P3/c20-18-23-14-9(15(29)24-18)21-5-26(14)17-13-12(43-47(36,37)44-13)7(41-17)4-39-46(34,35)42-11-6(3-38-45(31,32)33)40-16(10(11)28)25-2-1-8(27)22-19(25)30/h1-2,5-7,10-13,16-17,28H,3-4H2,(H,34,35)(H,36,37)(H,22,27,30)(H2,31,32,33)(H3,20,23,24,29)/t6-,7-,10-,11-,12-,13-,16-,17-/m1/s1
定義日:2014-08-19
最終更新日:2015-01-09
公開日:2015-01-14
識別子（ID）:3'-O-[(R)-{[(2R,3aR,4R,6R,6aR)-6-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-hydroxy-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]uridine 5'-(dihydrogen phosphate)
UPT
UPT
表記:1-[(2R,3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-sulfidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidine-2,4(1H,3H)-dione
組成式:C9 H11 N2 O7 P S
SMILES:S=P1(OC2C(OC(C2O1)CO)N3C=CC(=O)NC3=O)O
InChi:InChI=1S/C9H11N2O7PS/c12-3-4-6-7(18-19(15,20)17-6)8(16-4)11-2-1-5(13)10-9(11)14/h1-2,4,6-8,12H,3H2,(H,15,20)(H,10,13,14)/t4-,6-,7-,8-,19-/m1/s1
定義日:2014-10-20
最終更新日:2015-01-09
公開日:2015-01-14
識別子（ID）:1-[(2R,3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-sulfidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidine-2,4(1H,3H)-dione
06S
06S
表記:O-[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-({[(S)-({(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxy-2-[(thiophosphonooxy)methyl]tetrahydrofuran-3-yl}oxy)(sulfanyl)phosphoryl]oxy}methyl)-4-hydroxytetrahydrofuran-3-yl] dihydrogen (S)-phosphorothioate
組成式:C19 H26 N7 O16 P3 S3
SMILES:O=P(O)(S)OC1C(O)C(OC1COP(=O)(S)OC3C(OC(N2C(=O)NC(=O)C=C2)C3O)COP(=O)(O)S)n4c5NC(=NC(=O)c5nc4)N
InChi:InChI=1S/C19H26N7O16P3S3/c20-18-23-14-9(15(30)24-18)21-5-26(14)17-10(28)12(41-44(34,35)47)7(40-17)4-38-45(36,48)42-13-6(3-37-43(32,33)46)39-16(11(13)29)25-2-1-8(27)22-19(25)31/h1-2,5-7,10-13,16-17,28-29H,3-4H2,(H,36,48)(H,22,27,31)(H2,32,33,46)(H2,34,35,47)(H3,20,23,24,30)/t6-,7-,10-,11-,12-,13-,16-,17-,45+/m1/s1
定義日:2014-10-17
最終更新日:2015-01-09
公開日:2015-01-14
識別子（ID）:O-[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-({[(S)-({(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxy-2-[(thiophosphonooxy)methyl]tetrahydrofuran-3-yl}oxy)(sulfanyl)phosphoryl]oxy}methyl)-4-hydroxytetrahydrofuran-3-yl] dihydrogen (S)-phosphorothioate (non-preferred name)
RFQ
RFQ
表記:N-{3-[(1S)-2-(3-{(Z)-[amino(thiophen-2-yl)methylidene]amino}phenoxy)-1-hydroxyethyl]phenyl}thiophene-2-carboximidamide
組成式:C24 H21 N4 O2 S2
SMILES:N(c3cc(OCC(O)c2cccc(NC(=[N@H])c1sccc1)c2)ccc3)C(=[N@H])c4sccc4
InChi:InChI=1S/C24H22N4O2S2/c25-23(21-9-3-11-31-21)27-17-6-1-5-16(13-17)20(29)15-30-19-8-2-7-18(14-19)28-24(26)22-10-4-12-32-22/h1-14,20,29H,15H2,(H2,25,27)(H2,26,28)/t20-/m1/s1
定義日:2014-10-24
最終更新日:2015-01-09
公開日:2015-01-14
識別子（ID）:N-{3-[(1S)-1-hydroxy-2-(3-{[(Z)-imino(thiophen-2-yl)methyl]amino}phenoxy)ethyl]phenyl}thiophene-2-carboximidamide

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件を2024-08-07に公開中

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