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6A5
6A5
Name:Sa-(+)-(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl)(morpholino)methanone
Formula:C19 H19 Cl2 N5 O2
SMILES:O=C(c2nc3nc(c(c(c1ccc(Cl)cc1Cl)n3c2)CN)C)N4CCOCC4
InChi:InChI=1S/C19H19Cl2N5O2/c1-11-14(9-22)17(13-3-2-12(20)8-15(13)21)26-10-16(24-19(26)23-11)18(27)25-4-6-28-7-5-25/h2-3,8,10H,4-7,9,22H2,1H3
Synonyms:1-[5-(2,4-dichlorophenyl)-7-methyl-2-(morpholin-4-ylcarbonyl)imidazo[1,2-a]pyrimidin-6-yl]methanamine
Definition date:2010-06-28
Last modified:2020-06-17
Identifier:[6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl](morpholin-4-yl)methanone
6AN
6AN
Name:6-[(1E)-CYCLOHEXA-2,4-DIEN-1-YLIDENEAMINO]NAPHTHALENE-2-SULFONATE
Formula:C16 H13 N O3 S
SMILES:O=S(=O)(O)c3ccc2cc(N=C1/C=CCC=C1)ccc2c3
InChi:InChI=1S/C16H13NO3S/c18-21(19,20)16-9-7-12-10-15(8-6-13(12)11-16)17-14-4-2-1-3-5-14/h2-11H,1H2,(H,18,19,20)
Synonyms:2-ANILINONAPHTHALENE-6-SULFONIC ACID
Definition date:2009-07-27
Last modified:2020-06-17
Identifier:6-(cyclohexa-2,5-dien-1-ylideneamino)naphthalene-2-sulfonic acid
6AZ
6AZ
Name:6-azidouridine 5'-(dihydrogen phosphate)
Formula:C9 H12 N5 O9 P
SMILES:[N-]=[N+]=NC=1N(C(=O)NC(=O)C=1)C2OC(C(O)C2O)COP(=O)(O)O
InChi:InChI=1S/C9H12N5O9P/c10-13-12-4-1-5(15)11-9(18)14(4)8-7(17)6(16)3(23-8)2-22-24(19,20)21/h1,3,6-8,16-17H,2H2,(H,11,15,18)(H2,19,20,21)/t3-,6-,7-,8-/m1/s1
Synonyms:6-AZIDO-UMP
Definition date:2009-02-16
Last modified:2020-06-17
Identifier:6-azidouridine 5'-(dihydrogen phosphate)
6B5
6B5
Name:2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4H-1-chromen-4-one
Formula:C16 H12 O6
SMILES:c3cc(C=1Oc2c(C(=O)C=1)c(cc(c2)OC)O)cc(c3O)O
InChi:InChI=1S/C16H12O6/c1-21-9-5-12(19)16-13(20)7-14(22-15(16)6-9)8-2-3-10(17)11(18)4-8/h2-7,17-19H,1H3
Synonyms:7,8-DIMETHYLALLOXAZINE
Definition date:2016-03-01
Last modified:2020-06-17
Release date:2016-04-20
Identifier:2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one
6BD
6BD
Name:(2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid
Formula:C17 H15 N O3
SMILES:O=C(O)C(C)CON=C3/c1ccccc1c2c3cccc2
InChi:InChI=1S/C17H15NO3/c1-11(17(19)20)10-21-18-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m0/s1
Synonyms:(S)-3-(9H-fluoren-9-ylideneaminooxy)-2-methylpropanoic acid
Definition date:2009-04-06
Last modified:2020-06-17
Identifier:(2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid
P01
P01
Name:2-({6-[(3-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL
Formula:C19 H25 Cl N6 O
SMILES:Clc1cccc(c1)Nc3nc(nc2c3ncn2C(C)C)NC(C(C)C)CO
InChi:InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
Synonyms:PURVALANOL A
Definition date:2005-02-07
Last modified:2020-06-17
Identifier:(2R)-2-({6-[(3-chlorophenyl)amino]-9-(1-methylethyl)-9H-purin-2-yl}amino)-3-methylbutan-1-ol
P09
P09
Name:2-{[4-(3,4-dimethylphenoxy)phenyl]carbamoyl}benzoic acid
Formula:C22 H19 N O4
SMILES:O=C(O)c1ccccc1C(=O)Nc3ccc(Oc2cc(c(cc2)C)C)cc3
InChi:InChI=1S/C22H19NO4/c1-14-7-10-18(13-15(14)2)27-17-11-8-16(9-12-17)23-21(24)19-5-3-4-6-20(19)22(25)26/h3-13H,1-2H3,(H,23,24)(H,25,26)
Synonyms:BPH-1299
Definition date:2011-06-27
Last modified:2020-06-17
Release date:2012-12-14
Identifier:2-{[4-(3,4-dimethylphenoxy)phenyl]carbamoyl}benzoic acid
P0E
P0E
Name:PHOSPHATIDYL ETHANOL
Formula:C39 H73 O9 P
SMILES:O=C(OC(COP(=O)(OCCO)O)COC(=O)CCCCCCCC=C/CCCCCCCC)CCCCCCCC=C/CCCCCC
InChi:InChI=1S/C39H73O9P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16-18,37,40H,3-13,15,19-36H2,1-2H3,(H,43,44)/b16-14-,18-17-/t37-/m0/s1
Synonyms:(2S)-2-[(9E)-HEXADEC-9-ENOYLOXY]-3-{[HYDROXY(2-HYDROXYETHOXY)PHOSPHORYL]OXY}PROPYL (9E)-OCTADEC-9-ENOATE
Definition date:2005-04-29
Last modified:2020-06-17
Identifier:(2S)-2-[(9Z)-hexadec-9-enoyloxy]-3-{[(R)-hydroxy(2-hydroxyethoxy)phosphoryl]oxy}propyl (9Z)-octadec-9-enoate
6CE
6CE
Name:5'-S-[(S)-hydroxy{[2-(1H-indol-3-yl)ethyl]amino}phosphoryl]-5'-thioguanosine
Formula:C20 H24 N7 O6 P S
SMILES:C3(C(C(CSP(NCCc2c1ccccc1nc2)(=O)O)OC3n4cnc5c4NC(=NC5=O)N)O)O
InChi:InChI=1S/C20H24N7O6PS/c21-20-25-17-14(18(30)26-20)23-9-27(17)19-16(29)15(28)13(33-19)8-35-34(31,32)24-6-5-10-7-22-12-4-2-1-3-11(10)12/h1-4,7,9,13,15-16,19,22,28-29H,5-6,8H2,(H2,24,31,32)(H3,21,25,26,30)/t13-,15-,16-,19-/m1/s1
Synonyms:TrpGMPS
Definition date:2016-03-10
Last modified:2020-06-17
Release date:2017-03-15
Identifier:5'-S-[(S)-hydroxy{[2-(1H-indol-3-yl)ethyl]amino}phosphoryl]-5'-thioguanosine
P13
P13
Name:N-[2-(3-AMINOPROPOXY)-5-(1H-INDOL-5-YL)BENZYL]-N-(2-PIPERAZIN-1-YLETHYL)AMINE
Formula:C24 H33 N5 O
SMILES:O(c3ccc(c2cc1ccnc1cc2)cc3CNCCN4CCNCC4)CCCN
InChi:InChI=1S/C24H33N5O/c25-7-1-15-30-24-5-3-20(19-2-4-23-21(16-19)6-8-28-23)17-22(24)18-27-11-14-29-12-9-26-10-13-29/h2-6,8,16-17,26-28H,1,7,9-15,18,25H2
Synonyms:RBT550 INHIBITOR
Definition date:2003-12-10
Last modified:2020-06-17
Identifier:3-[4-(1H-indol-5-yl)-2-{[(2-piperazin-1-ylethyl)amino]methyl}phenoxy]propan-1-amine
P14
P14
Name:N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}-4-METHOXYPHENOXY)ETHYL]GUANIDINE
Formula:C16 H31 N7 O2
SMILES:O(c1ccc(OC)cc1CNCCCCNC(=[NH2+])N)CCNC(=[NH2+])N
InChi:InChI=1S/C16H29N7O2/c1-24-13-4-5-14(25-9-8-23-16(19)20)12(10-13)11-21-6-2-3-7-22-15(17)18/h4-5,10,21H,2-3,6-9,11H2,1H3,(H4,17,18,22)(H4,19,20,23)/p+2
Synonyms:RBT203 INHIBITOR
Definition date:2003-12-18
Last modified:2020-06-17
Identifier:amino{[2-(2-{[(4-{[amino(iminio)methyl]amino}butyl)amino]methyl}-4-methoxyphenoxy)ethyl]amino}methaniminium
6CU
6CU
Name:(6aS,9R,10R,10aS)-9-ethyl-10-isocyano-6,6,9-trimethyl-5,6,6a,7,8,9,10,10a-octahydroindeno[2,1-b]indole
Formula:C21 H26 N2
SMILES:CCC4(CCC1C(c3c(C1(C)C)nc2c3cccc2)C4[N+]#[C-])C
InChi:InChI=1S/C21H26N2/c1-6-21(4)12-11-14-17(19(21)22-5)16-13-9-7-8-10-15(13)23-18(16)20(14,2)3/h7-10,14,17,19,23H,6,11-12H2,1-4H3/t14-,17-,19+,21+/m0/s1
Synonyms:12-epi-fischerindole U
Definition date:2016-03-14
Last modified:2020-06-17
Release date:2016-06-29
Identifier:(6aS,9R,10R,10aS)-9-ethyl-10-isocyano-6,6,9-trimethyl-5,6,6a,7,8,9,10,10a-octahydroindeno[2,1-b]indole
P1B
P1B
Name:(5R)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione
Formula:C19 H20 N2 O3 S
SMILES:O=C1NC(=O)SC1Cc3ccc(OCCc2ncc(cc2)CC)cc3
InChi:InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)/t17-/m1/s1
Synonyms:PIOGLITAZONE
Definition date:2010-07-14
Last modified:2020-06-17
Identifier:(5R)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione
P1D
P1D
Name:((2S,3AS,4R,6S)-4-(HYDROXYMETHYL)-6-(4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-TETRAHYDROFURO[3,4-D][1,3]DIOXO L-2-YL)METHYLPHOSPHONIC ACID
Formula:C13 H16 N3 O8 P
SMILES:O=C1NC=Nc2c1ncc2C3OC(C4OC(OC34)CP(=O)(O)O)CO
InChi:InChI=1S/C13H16N3O8P/c17-2-6-11-12(24-7(23-11)3-25(19,20)21)10(22-6)5-1-14-9-8(5)15-4-16-13(9)18/h1,4,6-7,10-12,14,17H,2-3H2,(H,15,16,18)(H2,19,20,21)/t6-,7-,10+,11-,12+/m1/s1
Synonyms:9-DEAZAINOSINE-2',3'-O-ETHYLIDENEPHOSPHONATE
Definition date:2005-08-04
Last modified:2020-06-17
Identifier:(1S)-1,4-anhydro-1-(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,3-O-[(1S)-2-phosphonoethylidene]-D-ribitol
6D7
6D7
Name:(R)-orteronel
Formula:C18 H17 N3 O2
SMILES:C3(c1cc2c(cc1)cc(C(NC)=O)cc2)(CCn4cncc34)O
InChi:InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m1/s1
Synonyms:6-[(7R)-7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl]-N-methylnaphthalene-2-carboxamide
Definition date:2016-03-16
Last modified:2020-06-17
Release date:2017-03-15
Identifier:6-[(7R)-7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl]-N-methylnaphthalene-2-carboxamide
P1H
P1H
Name:{(2R,3S,4R,5R)-5-[(4S)-3-(AMINOCARBONYL)-4-(2-PROPYLISONICOTINOYL)PYRIDIN-1(4H)-YL]-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL}M ETHYL [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
Formula:C30 H38 N8 O15 P2
SMILES:CCCc1cc(ccn1)C(=O)[CH]2C=CN(C=C2C(N)=O)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O
InChi:InChI=1S/C30H38N8O15P2/c1-2-3-15-8-14(4-6-33-15)21(39)16-5-7-37(9-17(16)27(32)44)29-24(42)22(40)18(51-29)10-49-54(45,46)53-55(47,48)50-11-19-23(41)25(43)30(52-19)38-13-36-20-26(31)34-12-35-28(20)38/h4-9,12-13,16,18-19,22-25,29-30,40-43H,2-3,10-11H2,1H3,(H2,32,44)(H,45,46)(H,47,48)(H2,31,34,35)/t16-,18+,19+,22+,23+,24+,25+,29+,30+/m0/s1
Synonyms:2-PROPYL-ISONICOTINIC-ACYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE
Definition date:2006-11-10
Last modified:2020-06-17
Identifier:[(2R,3S,4R,5R)-5-[(4S)-3-aminocarbonyl-4-(2-propylpyridin-4-yl)carbonyl-4H-pyridin-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate
P2G
P2G
Name:(2S,4R,6R,6AS)-4-(2-AMINO-6-OXO-1,6-DIHYDROPURIN-9-YL)-6-(HYDROXYMETHYL)-TETRAHYDROFURO[3,4-D][1,3]DIOXOL-2-YLPHOSPHONI C ACID
Formula:C11 H14 N5 O8 P
SMILES:O=C4NC(=Nc1c4ncn1C3OC(C2OC(OC23)P(=O)(O)O)CO)N
InChi:InChI=1S/C11H14N5O8P/c12-10-14-7-4(8(18)15-10)13-2-16(7)9-6-5(3(1-17)22-9)23-11(24-6)25(19,20)21/h2-3,5-6,9,11,17H,1H2,(H2,19,20,21)(H3,12,14,15,18)/t3-,5-,6-,9-,11+/m1/s1
Synonyms:GUANOSINE-2',3'-O-METHYLIDENEPHOSPHONATE
Definition date:2005-08-04
Last modified:2020-06-17
Identifier:2',3'-O-(phosphonomethylidene)guanosine
LDC
LDC
Name:4-AMINO-1-(2-DEOXY-BETA-L-ERYTHRO-PENTOFURANOSYL)PYRIMIDIN-2(1H)-ONE
Formula:C9 H13 N3 O4
SMILES:O=C1N=C(N)C=CN1C2OC(C(O)C2)CO
InChi:InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m1/s1
Synonyms:L-2'-DEOXYCYTIDINE
Definition date:2006-10-26
Last modified:2020-06-17
Identifier:4-amino-1-(2-deoxy-beta-L-erythro-pentofuranosyl)pyrimidin-2(1H)-one
LDM
LDM
Name:3-LAURYLAMIDO-N,N'-DIMETHYLPROPYLAMINOXYDE
Formula:C17 H36 N2 O2
SMILES:[O-][N+](C)(CCCNC(=O)CCCCCCCCCCC)C
InChi:InChI=1S/C17H36N2O2/c1-4-5-6-7-8-9-10-11-12-14-17(20)18-15-13-16-19(2,3)21/h4-16H2,1-3H3,(H,18,20)
Synonyms:[3-(DODECANOYLAMINO)PROPYL](HYDROXY)DIMETHYLAMMONIUM
Definition date:2003-07-21
Last modified:2020-06-17
Identifier:N-[3-(dimethylnitroryl)propyl]dodecanamide
6ET
6ET
Name:capsazepine
Formula:C19 H21 Cl N2 O2 S
SMILES:c12cc(c(O)cc1CCCN(C2)C(=S)NCCc3ccc(cc3)Cl)O
InChi:InChI=1S/C19H21ClN2O2S/c20-16-5-3-13(4-6-16)7-8-21-19(25)22-9-1-2-14-10-17(23)18(24)11-15(14)12-22/h3-6,10-11,23-24H,1-2,7-9,12H2,(H,21,25)
Synonyms:N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2H-2-benzazepine-2-carbothioamide
Definition date:2016-03-23
Last modified:2020-06-17
Release date:2016-05-25
Identifier:N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2H-2-benzazepine-2-carbothioamide
783
783
Name:3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-5-METHOXY-1,1'-BIPHENYL-2-OLATE
Formula:C22 H19 N3 O2
SMILES:[O-]c4c(c1ccccc1)cc(OC)cc4c3cc2cc(ccc2n3)C(=[NH2+])N
InChi:InChI=1S/C22H19N3O2/c1-27-16-11-17(13-5-3-2-4-6-13)21(26)18(12-16)20-10-15-9-14(22(23)24)7-8-19(15)25-20/h2-12,25-26H,1H3,(H3,23,24)
Synonyms:CRA_14783
Definition date:2003-03-14
Last modified:2020-06-17
Identifier:3-{5-[amino(iminio)methyl]-1H-indol-2-yl}-5-methoxybiphenyl-2-olate
787
787
Name:(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACID
Formula:C7 H10 O6 P2
SMILES:O=P(O)(O)C(c1ccccc1)P(=O)(O)O
InChi:InChI=1S/C7H10O6P2/c8-14(9,10)7(15(11,12)13)6-4-2-1-3-5-6/h1-5,7H,(H2,8,9,10)(H2,11,12,13)
Synonyms:RU78783
Definition date:2003-06-20
Last modified:2020-06-17
Identifier:(phenylmethanediyl)bis(phosphonic acid)
LEV
LEV
Name:4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinoline-6-carboxamide
Formula:C21 H19 Cl N4 O4
SMILES:COc2cc1nccc(c1cc2C(N)=O)Oc3cc(c(cc3)NC(=O)NC4CC4)Cl
InChi:InChI=1S/C21H19ClN4O4/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28)
Synonyms:lenvatinib
Definition date:2014-09-26
Last modified:2020-06-17
Release date:2015-05-27
Identifier:4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinoline-6-carboxamide
LF7
LF7
Name:2-{[(1r,3s,5R,7S)-3-hydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]amino}-1-{(2S)-2-[(E)-iminomethyl]pyrrolidin-1-yl}ethan-1-o ne
Formula:C17 H27 N3 O2
SMILES:O=C(N1C(CCC1)C=N)CNC24CC3CC(C2)CC(C3)(O)C4
InChi:InChI=1S/C17H27N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h9,12-14,18-19,22H,1-8,10-11H2/b18-9+/t12-,13+,14-,16+,17-/m0/s1
Synonyms:Vildagliptin, bound form
Definition date:2012-12-11
Last modified:2020-06-17
Release date:2013-05-15
Identifier:2-{[(1r,3s,5R,7S)-3-hydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]amino}-1-{(2S)-2-[(E)-iminomethyl]pyrrolidin-1-yl}ethan-1-one
LFF
LFF
Name:(2S)-3-[(R)-{(1R)-1-[(N-acetyl-L-leucyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]-2-benzylpropanoic acid
Formula:C26 H35 N2 O6 P
SMILES:O=C(O)C(Cc1ccccc1)CP(=O)(O)C(NC(=O)C(NC(=O)C)CC(C)C)Cc2ccccc2
InChi:InChI=1S/C26H35N2O6P/c1-18(2)14-23(27-19(3)29)25(30)28-24(16-21-12-8-5-9-13-21)35(33,34)17-22(26(31)32)15-20-10-6-4-7-11-20/h4-13,18,22-24H,14-17H2,1-3H3,(H,27,29)(H,28,30)(H,31,32)(H,33,34)/t22-,23+,24-/m1/s1
Synonyms:ACETYL-LEU-PHE-Y(PO2CH2)-PHE-OH
Definition date:2014-12-23
Last modified:2020-06-17
Release date:2016-01-20
Identifier:(2S)-3-[(R)-{(1R)-1-[(N-acetyl-L-leucyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]-2-benzylpropanoic acid

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数据于2024-07-17公开中

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