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2UO
2UO
Name:Mevastatin, Compactin
Formula:C23 H34 O5
SMILES:CC[CH](C)C(=O)O[CH]1CCC=C2C=C[CH](C)[CH](CC[CH]3C[CH](O)CC(=O)O3)[CH]12
InChi:InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1
Synonyms:(1S,7S,8S,8aR)-8-{2-[(2R,4R,6R)-4,6-dihydroxytetrahydro-2H-pyran-2-yl]ethyl}-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen- 1-yl (2S)-2-methylbutanoate
Definition date:2014-02-12
Last modified:2020-06-17
Release date:2015-02-18
Identifier:[(1~{S},7~{S},8~{S},8~{a}~{R})-7-methyl-8-[2-[(2~{R},4~{R})-4-oxidanyl-6-oxidanylidene-oxan-2-yl]ethyl]-1,2,3,7,8,8~{a}-hexahydronaphthalen-1-yl] (2~{S})-2-methylbutanoate
2V0
2V0
Name:(2R)-2-[(R)-amino(carboxy)methyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Formula:C8 H12 N2 O4 S
SMILES:O=C(O)C(N)C1SCC(=C(C(=O)O)N1)C
InChi:InChI=1S/C8H12N2O4S/c1-3-2-15-6(4(9)7(11)12)10-5(3)8(13)14/h4,6,10H,2,9H2,1H3,(H,11,12)(H,13,14)/t4-,6+/m0/s1
Synonyms:7-aminodeacetoxycephalosporanic acid, hydrolyzed form
Definition date:2014-02-17
Last modified:2020-06-17
Release date:2014-05-28
Identifier:(2R)-2-[(R)-amino(carboxy)methyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
2V4
2V4
Name:rabelomycin
Formula:C19 H14 O6
SMILES:O=C2c4c(C(=O)c3c1C(=O)CC(O)(C)Cc1cc(O)c23)cccc4O
InChi:InChI=1S/C19H14O6/c1-19(25)6-8-5-11(21)15-16(13(8)12(22)7-19)17(23)9-3-2-4-10(20)14(9)18(15)24/h2-5,20-21,25H,6-7H2,1H3/t19-/m1/s1
Synonyms:(3R)-3,6,8-trihydroxy-3-methyl-3,4-dihydrotetraphene-1,7,12(2H)-trione
Definition date:2014-02-19
Last modified:2020-06-17
Release date:2014-10-01
Identifier:(3R)-3,6,8-trihydroxy-3-methyl-3,4-dihydrotetraphene-1,7,12(2H)-trione
I8P
I8P
Name:(1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)]
Formula:C6 H20 O30 P8
SMILES:O=P(O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(OP(=O)(O)O)O
InChi:InChI=1S/C6H20O30P8/c7-37(8,9)29-1-2(30-38(10,11)12)5(33-43(25,26)35-41(19,20)21)4(32-40(16,17)18)6(3(1)31-39(13,14)15)34-44(27,28)36-42(22,23)24/h1-6H,(H,25,26)(H,27,28)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4-,5+,6-/m1/s1
Synonyms:1D-myo-inositol 1,5-bisdiphosphate 2,3,4,6-tetrakisphosphate
Definition date:2011-08-08
Last modified:2020-06-17
Identifier:(1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)]
2VL
2VL
Name:N-{3-[6-({4-[(2R)-1,4-dimethyl-3-oxopiperazin-2-yl]phenyl}amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl]-2-methylphenyl }-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
Formula:C33 H36 N6 O3 S
SMILES:O=C1N(C)CCN(C)C1c2ccc(cc2)NC3=NC(=CN(C3=O)C)c4cccc(c4C)NC(=O)c5sc6c(c5)CCCC6
InChi:InChI=1S/C33H36N6O3S/c1-20-24(9-7-10-25(20)36-31(40)28-18-22-8-5-6-11-27(22)43-28)26-19-39(4)33(42)30(35-26)34-23-14-12-21(13-15-23)29-32(41)38(3)17-16-37(29)2/h7,9-10,12-15,18-19,29H,5-6,8,11,16-17H2,1-4H3,(H,34,35)(H,36,40)/t29-/m1/s1
Synonyms:GDC0834
Definition date:2014-02-25
Last modified:2020-06-17
Release date:2015-01-28
Identifier:N-{3-[6-({4-[(2R)-1,4-dimethyl-3-oxopiperazin-2-yl]phenyl}amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl]-2-methylphenyl}-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
IBA
IBA
Name:4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID
Formula:C18 H27 N3 O4
SMILES:O=C(O)c1cc(c(cc1)N2C(=O)CCC2(CN)CO)NC(CC)CC
InChi:InChI=1S/C18H27N3O4/c1-3-13(4-2)20-14-9-12(17(24)25)5-6-15(14)21-16(23)7-8-18(21,10-19)11-22/h5-6,9,13,20,22H,3-4,7-8,10-11,19H2,1-2H3,(H,24,25)/t18-/m1/s1
Synonyms:1-(4-CARBOXY-2-(3-PENTYLAMINO)PHENYL)-5-AMINOMETHYL-5-HYDROXYMETHYL-PYRROLIDIN-2-ONE
Definition date:2003-07-31
Last modified:2020-06-17
Identifier:4-[(2R)-2-(aminomethyl)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-[(1-ethylpropyl)amino]benzoic acid
IBC
IBC
Name:3-(3-HYDROXY-7,8-DIHYDRO-6H-CYCLOHEPTA[D]ISOXAZOL-4-YL)-L-ALANINE
Formula:C11 H14 N2 O4
SMILES:O=C(O)C(N)CC2=CCCCc1onc(O)c12
InChi:InChI=1S/C11H14N2O4/c12-7(11(15)16)5-6-3-1-2-4-8-9(6)10(14)13-17-8/h3,7H,1-2,4-5,12H2,(H,13,14)(H,15,16)/t7-/m0/s1
Synonyms:2-AMINO-3-(3-HYDROXY-7,8-DIHYDRO-6H-CYCLOHEPTA[D]-4-ISOXAZOLYL)PROPIONIC ACID
Definition date:2004-12-16
Last modified:2020-06-17
Identifier:3-(3-hydroxy-7,8-dihydro-6H-cyclohepta[d]isoxazol-4-yl)-L-alanine
2XM
2XM
Name:2,2'-((4-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-1,2-phenylene)bis(oxy))bis(ethan-1-ol)
Formula:C21 H27 N5 O4 S2
SMILES:OCCOc3c(OCCO)cc(c1nc(c(s1)CCC)CSc2nc(N)cc(n2)N)cc3
InChi:InChI=1S/C21H27N5O4S2/c1-2-3-17-14(12-31-21-25-18(22)11-19(23)26-21)24-20(32-17)13-4-5-15(29-8-6-27)16(10-13)30-9-7-28/h4-5,10-11,27-28H,2-3,6-9,12H2,1H3,(H4,22,23,25,26)
Synonyms:2,2'-{[4-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)benzene-1,2-diyl]bis(oxy)}diethanol
Definition date:2014-04-08
Last modified:2020-06-17
Release date:2014-11-05
Identifier:2,2'-{[4-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)benzene-1,2-diyl]bis(oxy)}diethanol
IBP
IBP
Name:IBUPROFEN
Formula:C13 H18 O2
SMILES:O=C(O)C(c1ccc(cc1)CC(C)C)C
InChi:InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1
Synonyms:2-(4-ISOBUTYLPHENYL)PROPIONIC ACID
Definition date:2000-04-10
Last modified:2020-06-17
Identifier:(2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid
IC1
IC1
Name:3-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-INDOLIN-2-ONE
Formula:C18 H17 N O4
SMILES:O=C2C(c1ccccc1N2)=Cc3c(OC)cc(OC)cc3OC
InChi:InChI=1S/C18H17NO4/c1-21-11-8-16(22-2)14(17(9-11)23-3)10-13-12-6-4-5-7-15(12)19-18(13)20/h4-10H,1-3H3,(H,19,20)/b13-10+
Synonyms:IC261
Definition date:2000-02-25
Last modified:2020-06-17
Identifier:(3E)-3-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-dihydro-2H-indol-2-one
2Y0
2Y0
Name:N-(2-(3-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)phenoxy)ethyl)methanesulfonamide
Formula:C20 H26 N6 O3 S3
SMILES:O=S(=O)(NCCOc1cccc(c1)c2nc(c(s2)CCC)CSc3nc(N)cc(n3)N)C
InChi:InChI=1S/C20H26N6O3S3/c1-3-5-16-15(12-30-20-25-17(21)11-18(22)26-20)24-19(31-16)13-6-4-7-14(10-13)29-9-8-23-32(2,27)28/h4,6-7,10-11,23H,3,5,8-9,12H2,1-2H3,(H4,21,22,25,26)
Synonyms:N-{2-[3-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)phenoxy]ethyl}methanesulfonamide
Definition date:2014-04-09
Last modified:2020-06-17
Release date:2015-02-18
Identifier:N-{2-[3-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)phenoxy]ethyl}methanesulfonamide
2Y2
2Y2
Name:N-[(2R)-1-{[(2S,3R,5R)-1-cyclohexyl-3-hydroxy-5-{[2-(morpholin-4-yl)ethyl]carbamoyl}oct-7-yn-2-yl]amino}-3-(methylsulfa nyl)-1-oxopropan-2-yl]-1H-benzimidazole-2-carboxamide
Formula:C33 H48 N6 O5 S
SMILES:O=C(c2nc1ccccc1n2)NC(C(=O)NC(CC3CCCCC3)C(O)CC(C(=O)NCCN4CCOCC4)CC#C)CSC
InChi:InChI=1S/C33H48N6O5S/c1-3-9-24(31(41)34-14-15-39-16-18-44-19-17-39)21-29(40)27(20-23-10-5-4-6-11-23)37-32(42)28(22-45-2)38-33(43)30-35-25-12-7-8-13-26(25)36-30/h1,7-8,12-13,23-24,27-29,40H,4-6,9-11,14-22H2,2H3,(H,34,41)(H,35,36)(H,37,42)(H,38,43)/t24-,27+,28+,29-/m1/s1
Synonyms:CP-108,420
Definition date:2010-11-10
Last modified:2020-06-17
Identifier:N-[(2R)-1-{[(2S,3R,5R)-1-cyclohexyl-3-hydroxy-5-{[2-(morpholin-4-yl)ethyl]carbamoyl}oct-7-yn-2-yl]amino}-3-(methylsulfanyl)-1-oxopropan-2-yl]-1H-benzimidazole-2-carboxamide
2Y4
2Y4
Name:N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-cyclohexyl-4,4-difluoro-3-hydroxy-5-(methylamino)-5-oxo-pentan-2-yl]amino]-1-oxo-hexan-2 -yl]amino]-1-oxo-3-phenyl-propan-2-yl]morpholine-4-carboxamide
Formula:C32 H49 F2 N5 O6
SMILES:O=C(NC(C(=O)NC(C(=O)NC(CC1CCCCC1)C(O)C(F)(F)C(=O)NC)CCCC)Cc2ccccc2)N3CCOCC3
InChi:InChI=1S/C32H49F2N5O6/c1-3-4-15-24(28(41)37-25(20-22-11-7-5-8-12-22)27(40)32(33,34)30(43)35-2)36-29(42)26(21-23-13-9-6-10-14-23)38-31(44)39-16-18-45-19-17-39/h6,9-10,13-14,22,24-27,40H,3-5,7-8,11-12,15-21H2,1-2H3,(H,35,43)(H,36,42)(H,37,41)(H,38,44)/t24-,25-,26-,27+/m0/s1
Synonyms:CP-81,198
Definition date:2010-11-09
Last modified:2020-06-17
Identifier:N-[(2S)-1-{[(2S)-1-{[(2S,3R)-1-cyclohexyl-4,4-difluoro-3-hydroxy-5-(methylamino)-5-oxopentan-2-yl]amino}-1-oxohexan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide (non-preferred name)
2Y8
2Y8
Name:(R)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine
Formula:C19 H22 F N5 O2 S2
SMILES:FCCOc1c(OC)ccc(c1)c2nc(c(s2)C)C(Sc3nc(N)cc(n3)N)C
InChi:InChI=1S/C19H22FN5O2S2/c1-10-17(11(2)29-19-23-15(21)9-16(22)24-19)25-18(28-10)12-4-5-13(26-3)14(8-12)27-7-6-20/h4-5,8-9,11H,6-7H2,1-3H3,(H4,21,22,23,24)/t11-/m1/s1
Synonyms:2-{[(1R)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine
Definition date:2014-04-10
Last modified:2020-06-17
Release date:2014-11-05
Identifier:2-{[(1R)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine
ICD
ICD
Name:4-hydroxy-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide
Formula:C14 H13 N3 O5 S
SMILES:O=C(C2=C(O)c1c(cccc1)S(=O)(=O)N2C)Nc3noc(c3)C
InChi:InChI=1S/C14H13N3O5S/c1-8-7-11(16-22-8)15-14(19)12-13(18)9-5-3-4-6-10(9)23(20,21)17(12)2/h3-7,18H,1-2H3,(H,15,16,19)
Synonyms:Isoxicam
Definition date:2013-08-09
Last modified:2020-06-17
Release date:2014-01-22
Identifier:4-hydroxy-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide
ICJ
ICJ
Name:(1R,3S,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1-[(1R,2S,4R)-2-butyl-4-hydroxy-1,5-dimethylhexyl]-7a-methyloctahydro-4H-inden-4-yli dene}ethylidene]-4-methylidenecyclohexane-1,3-diol
Formula:C31 H52 O3
SMILES:OC3C(=C)C(=C/C=C1CCCC2(C)C(C(C)C(CCCC)CC(O)C(C)C)CCC12)CC(O)C3
InChi:InChI=1S/C31H52O3/c1-7-8-10-24(18-29(33)20(2)3)21(4)27-14-15-28-23(11-9-16-31(27,28)6)12-13-25-17-26(32)19-30(34)22(25)5/h12-13,20-21,24,26-30,32-34H,5,7-11,14-19H2,1-4,6H3/b23-12+,25-13-/t21-,24+,26-,27-,28+,29-,30+,31-/m1/s1
Synonyms:22S-butyl-1a,24R-dihydroxyvitamin D3
Definition date:2010-03-17
Last modified:2020-06-17
Identifier:(1R,3S,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1-[(2R,3S,5R)-3-butyl-5-hydroxy-6-methylheptan-2-yl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene]-4-methylidenecyclohexane-1,3-diol (non-preferred name)
2YS
2YS
Name:D-valyl-N-[(2S,3S)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-L-leucinamide
Formula:C18 H37 Cl N4 O3
SMILES:O=C(NC(CCCCN)C(O)CCl)C(NC(=O)C(N)C(C)C)CC(C)C
InChi:InChI=1S/C18H37ClN4O3/c1-11(2)9-14(23-18(26)16(21)12(3)4)17(25)22-13(15(24)10-19)7-5-6-8-20/h11-16,24H,5-10,20-21H2,1-4H3,(H,22,25)(H,23,26)/t13-,14-,15+,16+/m0/s1
Synonyms:D-VAL-LEU-LYS-chloromethylketone
Definition date:2014-04-29
Last modified:2020-06-17
Release date:2014-09-03
Identifier:D-valyl-N-[(2S,3S)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-L-leucinamide
2YT
2YT
Name:L-phenylalanyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide
Formula:C25 H35 Cl N6 O3
SMILES:ClCC(O)C(NC(=O)C(NC(=O)C(N)Cc1ccccc1)Cc2ccccc2)CCCNC(=[N@H])N
InChi:InChI=1S/C25H35ClN6O3/c26-16-22(33)20(12-7-13-30-25(28)29)31-24(35)21(15-18-10-5-2-6-11-18)32-23(34)19(27)14-17-8-3-1-4-9-17/h1-6,8-11,19-22,33H,7,12-16,27H2,(H,31,35)(H,32,34)(H4,28,29,30)/t19-,20-,21-,22+/m0/s1
Synonyms:PHE-PHE-ARG-chloromethylketone
Definition date:2014-04-29
Last modified:2020-06-17
Release date:2014-09-03
Identifier:L-phenylalanyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide
2Z0
2Z0
Name:N-{[5-(dimethylamino)naphthalen-2-yl]sulfonyl}-L-alpha-glutamyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-1-(chloroacetyl) butyl]glycinamide
Formula:C26 H37 Cl N7 O7 S
SMILES:ClCC(=O)C(NC(=O)CNC(=O)C(NS(=O)(=O)c2ccc1c(cccc1N(C)C)c2)CCC(=O)O)CCCNC(=[NH2+])N
InChi:InChI=1S/C26H36ClN7O7S/c1-34(2)21-7-3-5-16-13-17(8-9-18(16)21)42(40,41)33-20(10-11-24(37)38)25(39)31-15-23(36)32-19(22(35)14-27)6-4-12-30-26(28)29/h3,5,7-9,13,19-20,33H,4,6,10-12,14-15H2,1-2H3,(H,31,39)(H,32,36)(H,37,38)(H4,28,29,30)/p+1/t19-,20-/m0/s1
Synonyms:dansyl-Glu-Gly-Arg-chloromethyl-ketone
Definition date:2008-08-28
Last modified:2020-06-17
Identifier:N-{[5-(dimethylamino)naphthalen-2-yl]sulfonyl}-L-alpha-glutamyl-N-[(3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-oxohexan-3-yl]glycinamide
ID5
ID5
Name:[5-FLUORO-2-({[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-2-YL)METHYL]AMINO}CARBONYL)PHENOXY]ACETIC ACID
Formula:C17 H10 F4 N2 O4 S
SMILES:Fc1ccc(c(OCC(=O)O)c1)C(=O)NCc2nc3c(F)c(F)cc(F)c3s2
InChi:InChI=1S/C17H10F4N2O4S/c18-7-1-2-8(11(3-7)27-6-13(24)25)17(26)22-5-12-23-15-14(21)9(19)4-10(20)16(15)28-12/h1-4H,5-6H2,(H,22,26)(H,24,25)
Synonyms:IDD552
Definition date:2004-05-07
Last modified:2020-06-17
Identifier:(5-fluoro-2-{[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]carbamoyl}phenoxy)acetic acid
2ZE
2ZE
Name:(3R,4R,4aR,6aS,8R,9R,11aS,11bS)-4,9-bis(hydroxymethyl)-4,11b-dimethyltetradecahydro-8,11a-methanocyclohepta[a]naphthale ne-3,9-diol
Formula:C20 H34 O4
SMILES:OCC4(O)C3CC2C(C1(C(C(C)(CO)C(O)CC1)CC2)C)(C3)CC4
InChi:InChI=1S/C20H34O4/c1-17(11-21)15-4-3-13-9-14-10-19(13,7-8-20(14,24)12-22)18(15,2)6-5-16(17)23/h13-16,21-24H,3-12H2,1-2H3/t13-,14+,15-,16+,17-,18-,19-,20-/m0/s1
Synonyms:Aphidicolin
Definition date:2014-05-01
Last modified:2020-06-17
Release date:2014-11-26
Identifier:(3R,4R,4aR,6aS,8R,9R,11aS,11bS)-4,9-bis(hydroxymethyl)-4,11b-dimethyltetradecahydro-8,11a-methanocyclohepta[a]naphthalene-3,9-diol
ID8
ID8
Name:2-[(2,3-DIMETHYLPHENYL)AMINO]BENZOIC ACID
Formula:C15 H15 N O2
SMILES:O=C(O)c2c(Nc1cccc(c1C)C)cccc2
InChi:InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
Synonyms:MEFENAMIC ACID
Definition date:2010-07-30
Last modified:2020-06-17
Identifier:2-[(2,3-dimethylphenyl)amino]benzoic acid
IDB
IDB
Name:3-[5-[(3-CARBOXY-2,4,6-TRIIODO-PHENYL)CARBAMOYL]PENTANOYLAMINO]-2,4,6-TRIIODO-BENZOIC ACID
Formula:C20 H14 I6 N2 O6
SMILES:O=C(Nc1c(I)c(c(I)cc1I)C(=O)O)CCCCC(=O)Nc2c(I)c(C(=O)O)c(I)cc2I
InChi:InChI=1S/C20H14I6N2O6/c21-7-5-9(23)17(15(25)13(7)19(31)32)27-11(29)3-1-2-4-12(30)28-18-10(24)6-8(22)14(16(18)26)20(33)34/h5-6H,1-4H2,(H,27,29)(H,28,30)(H,31,32)(H,33,34)
Synonyms:3,3'-[(1,6-DIOXOHEXANE-1,6-DIYL)DIIMINO]BIS(2,4,6-TRIIODOBENZOIC ACID)
Definition date:2005-07-26
Last modified:2020-06-17
Identifier:3,3'-[(1,6-dioxohexane-1,6-diyl)diimino]bis(2,4,6-triiodobenzoic acid)
300
300
Name:2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE
Formula:C8 H9 O6 P
SMILES:O=Cc1cccc(OC)c1OP(=O)(O)O
InChi:InChI=1S/C8H9O6P/c1-13-7-4-2-3-6(5-9)8(7)14-15(10,11)12/h2-5H,1H3,(H2,10,11,12)
Synonyms:RU78300
Definition date:2003-06-20
Last modified:2020-06-17
Identifier:2-formyl-6-methoxyphenyl dihydrogen phosphate
IDN
IDN
Name:(E)-N-METHYL-N-(1-METHYL-1H-INDOL-3-YLMETHYL)-3-(7-OXO-5,6,7,8-TETRAHYDRO-[1,8]NAPHTHYRIDIN-3-YL)-ACRYLAMIDE
Formula:C22 H22 N4 O2
SMILES:O=C2Nc1ncc(cc1CC2)C=CC(=O)N(C)Cc4c3ccccc3n(c4)C
InChi:InChI=1S/C22H22N4O2/c1-25-13-17(18-5-3-4-6-19(18)25)14-26(2)21(28)10-7-15-11-16-8-9-20(27)24-22(16)23-12-15/h3-7,10-13H,8-9,14H2,1-2H3,(H,23,24,27)/b10-7+
Synonyms:INDOLE NAPHTHYRIDINONE
Definition date:2002-08-28
Last modified:2020-06-17
Identifier:(2E)-N-methyl-N-[(1-methyl-1H-indol-3-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide

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數據於2024-07-17公開中

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