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GZZ
GZZ
Name:N-{8-[(8-{[(E)-AMINO(IMINO)METHYL]AMINO}OCTYL)AMINO]OCTYL}GUANIDINE
Formula:C18 H41 N7
SMILES:[N@H]=C(N)NCCCCCCCCNCCCCCCCCNC(=[N@H])N
InChi:InChI=1S/C18H41N7/c19-17(20)24-15-11-7-3-1-5-9-13-23-14-10-6-2-4-8-12-16-25-18(21)22/h23H,1-16H2,(H4,19,20,24)(H4,21,22,25)
Synonyms:GUAZATINE
Definition date:2001-01-25
Last modified:2020-06-17
Identifier:N,N'''-(iminodioctane-8,1-diyl)diguanidine
H02
H02
Name:N-METHYL PROTOPORPHYRIN IX 2,4-DISULFONIC ACID
Formula:C35 H42 N4 O4
SMILES:O=C(O)CCC5=C(C=2NC5=Cc1c(c(c(n1)C=C4C(=C(C(=Cc3nc(C=2)c(c3CC)C)N4C)C)CC)C)CCC(=O)O)C
InChi:InChI=1S/C35H42N4O4/c1-8-22-18(3)26-14-27-19(4)24(10-12-34(40)41)29(36-27)15-30-25(11-13-35(42)43)20(5)28(38-30)16-33-23(9-2)21(6)32(39(33)7)17-31(22)37-26/h14-17,36-38H,8-13H2,1-7H3,(H,40,41)(H,42,43)/b26-14-,27-14-,28-16-,29-15-,30-15-,31-17-,32-17-,33-16-
Synonyms:3,3'-(7,12-DIETHYL-3,8,13,17,22-PENTAMETHYL-22,24-DIHYDROPORPHYRIN-2,18-DIYL)DIPROPANOIC ACID
Definition date:2007-06-15
Last modified:2020-06-17
Identifier:3,3'-(7,12-diethyl-3,8,13,17,22-pentamethyl-22,24-dihydroporphyrin-2,18-diyl)dipropanoic acid
3DG
3DG
Name:9-(3-DEOXY-BETA-D-RIBOFURANOSYL)GUANINE
Formula:C10 H13 N5 O4
SMILES:O=C1c2ncn(c2N=C(N)N1)C3OC(CC3O)CO
InChi:InChI=1S/C10H13N5O4/c11-10-13-7-6(8(18)14-10)12-3-15(7)9-5(17)1-4(2-16)19-9/h3-5,9,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,9+/m0/s1
Synonyms:3-DEOXYGUANOSINE
Definition date:2003-11-10
Last modified:2020-06-17
Identifier:3'-deoxyguanosine
3DH
3DH
Name:5'-S-ethyl-5'-thioadenosine
Formula:C12 H17 N5 O3 S
SMILES:n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CSCC)N
InChi:InChI=1S/C12H17N5O3S/c1-2-21-3-6-8(18)9(19)12(20-6)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18-19H,2-3H2,1H3,(H2,13,14,15)/t6-,8-,9-,12-/m1/s1
Synonyms:S-adenosylethane
Definition date:2008-06-20
Last modified:2020-06-17
Identifier:5'-S-ethyl-5'-thioadenosine
3DU
3DU
Name:4-hydroxy-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridin-2(1H)-one
Formula:C10 H14 N O9 P
SMILES:O=P(O)(O)OCC2OC(N1C(=O)C=C(O)C=C1)C(O)C2O
InChi:InChI=1S/C10H14NO9P/c12-5-1-2-11(7(13)3-5)10-9(15)8(14)6(20-10)4-19-21(16,17)18/h1-3,6,8-10,12,14-15H,4H2,(H2,16,17,18)/t6-,8-,9-,10-/m1/s1
Synonyms:3-deazauridine 5'-monophosphate
Definition date:2013-12-05
Last modified:2020-06-17
Release date:2013-12-18
Identifier:4-hydroxy-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridin-2(1H)-one
H1L
H1L
Name:(2R)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid
Formula:C15 H11 Cl F3 N O4
SMILES:O=C(O)C(Oc2ccc(Oc1ncc(cc1Cl)C(F)(F)F)cc2)C
InChi:InChI=1S/C15H11ClF3NO4/c1-8(14(21)22)23-10-2-4-11(5-3-10)24-13-12(16)6-9(7-20-13)15(17,18)19/h2-8H,1H3,(H,21,22)/t8-/m1/s1
Synonyms:HALOXYFOP INHIBITOR, R enantiomer
Definition date:2004-03-02
Last modified:2020-06-17
Identifier:(2R)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid
H2B
H2B
Name:2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE
Formula:C9 H13 N5 O3
SMILES:O=C1N=C(N=C2NCC(N=C12)C(O)C(O)C)N
InChi:InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,15-16H,2H2,1H3,(H3,10,11,13,14,17)/t3-,4+,6-/m0/s1
Synonyms:QUINONOID 7,8-TETRAHYDROBIOPTERIN
Definition date:1999-12-16
Last modified:2020-06-17
Identifier:(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-7,8-dihydropteridin-4(6H)-one
3EV
3EV
Name:(1S,3S,5Z,7E,14beta,17alpha)-9,10-secocholesta-5,7,10-triene-1,3,25-triol
Formula:C27 H44 O3
SMILES:OC3C(=C)C(=C/C=C1CCCC2(C)C(C(C)CCCC(O)(C)C)CCC12)CC(O)C3
InChi:InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22+,23-,24+,25+,27-/m1/s1
Synonyms:1alpha,25-dihydroxy-3-epi-vitamin D3
Definition date:2009-09-30
Last modified:2020-06-17
Identifier:(1S,3S,5Z,7E,14beta,17alpha)-9,10-secocholesta-5,7,10-triene-1,3,25-triol
3F1
3F1
Name:N-{[4-(benzyloxy)phenyl](methyl)-lambda~4~-sulfanylidene}-4-methylbenzenesulfonamide
Formula:C21 H21 N O3 S2
SMILES:Cc1ccc(cc1)[S](=O)(=O)N=[S](C)c2ccc(OCc3ccccc3)cc2
InChi:InChI=1S/C21H21NO3S2/c1-17-8-14-21(15-9-17)27(23,24)22-26(2)20-12-10-19(11-13-20)25-16-18-6-4-3-5-7-18/h3-15H,16H2,1-2H3/t26-/m1/s1
Synonyms:N-{[4-(benzyloxy)phenyl](methyl)-lambda}-4-methylbenzenesulfonamide
Definition date:2010-01-18
Last modified:2020-06-17
Identifier:4-methyl-N-[(R)-methyl-(4-phenylmethoxyphenyl)-$l^{4}-sulfanylidene]benzenesulfonamide
3FP
3FP
Name:(2R)-1-(DIMETHYLAMINO)-3-{4-[(6-{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENOXY}PROPAN-2-OL
Formula:C22 H23 F4 N5 O2
SMILES:FC(F)(F)c1cc(c(F)cc1)Nc3ncnc(Nc2ccc(OCC(O)CN(C)C)cc2)c3
InChi:InChI=1S/C22H23F4N5O2/c1-31(2)11-16(32)12-33-17-6-4-15(5-7-17)29-20-10-21(28-13-27-20)30-19-9-14(22(24,25)26)3-8-18(19)23/h3-10,13,16,32H,11-12H2,1-2H3,(H2,27,28,29,30)/t16-/m1/s1
Synonyms:1-(DIMETHYLAMINO)-3-{4-[(6-{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENOXY}PROPAN-2-OL
Definition date:2002-06-11
Last modified:2020-06-17
Identifier:(2R)-1-(dimethylamino)-3-{4-[(6-{[2-fluoro-5-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]phenoxy}propan-2-ol
3FR
3FR
Name:3'-chloro-5'-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)biphenyl-2-carboxamide
Formula:C28 H24 Cl N5 O
SMILES:O=C(N)c1ccccc1c2cc(cc(Cl)c2)n5nc(c3c5cc(nc3)NC(c4ccccc4)C)C
InChi:InChI=1S/C28H24ClN5O/c1-17(19-8-4-3-5-9-19)32-27-15-26-25(16-31-27)18(2)33-34(26)22-13-20(12-21(29)14-22)23-10-6-7-11-24(23)28(30)35/h3-17H,1-2H3,(H2,30,35)(H,31,32)/t17-/m0/s1
Synonyms:3'-chloro-5'-[3-methyl-6-(1-phenyl-ethylamino)-pyrazolo[4,3-c]pyridin-1-yl]-biphenyl-2-carboxylic acid amide
Definition date:2008-06-16
Last modified:2020-06-17
Identifier:3'-chloro-5'-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)biphenyl-2-carboxamide
3GO
3GO
Name:4-[[(2R,3S,4R,5R)-5-[6-amino-8-(quinolin-6-ylmethylamino)purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitri le
Formula:C28 H26 N8 O4
SMILES:N#Cc1ccc(cc1)COCC6OC(n3c(nc2c(ncnc23)N)NCc5cc4cccnc4cc5)C(O)C6O
InChi:InChI=1S/C28H26N8O4/c29-11-16-3-5-17(6-4-16)13-39-14-21-23(37)24(38)27(40-21)36-26-22(25(30)33-15-34-26)35-28(36)32-12-18-7-8-20-19(10-18)2-1-9-31-20/h1-10,15,21,23-24,27,37-38H,12-14H2,(H,32,35)(H2,30,33,34)/t21-,23-,24-,27-/m1/s1
Synonyms:5'-O-(4-cyanobenzyl)-8-[(quinolin-6-ylmethyl)amino]adenosine
Definition date:2009-01-28
Last modified:2020-06-17
Identifier:5'-O-(4-cyanobenzyl)-8-[(quinolin-6-ylmethyl)amino]adenosine
H4C
H4C
Name:4-(2-chlorophenyl)-2-ethyl-9-methyl-6,8-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium
Formula:C17 H16 Cl N4 S
SMILES:Clc4ccccc4C2=NCc1nnc([n+]1c3sc(cc23)CC)C
InChi:InChI=1S/C17H15ClN4S/c1-3-11-8-13-16(12-6-4-5-7-14(12)18)19-9-15-21-20-10(2)22(15)17(13)23-11/h4-8H,3,9H2,1-2H3/p+1
Synonyms:7-(2-chlorophenyl)-4-ethyl-13-methyl-3-thia-1,8,11,12-tetraazatricyclo trideca-2(6),4,7,10,12-pentaene
Definition date:2013-09-17
Last modified:2020-06-17
Release date:2013-10-02
Identifier:4-(2-chlorophenyl)-2-ethyl-9-methyl-6,8-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium
3H4
3H4
Name:(1Z,4S,6Z)-1-[(N-{(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-3,6-dihydro-2H-pyran-2-yl]-6-methylnona-2,4,6-trienoyl}-3-methy l-L-valyl)amino]octa-1,6-dien-4-yl carbamate
Formula:C31 H45 N3 O7
SMILES:O=C(OC(CC=C/C)C/C=CNC(=O)C(NC(=O)C=C/C=CC(=CC(C)C1OC(=O)C(OC)=CC1)C)C(C)(C)C)N
InChi:InChI=1S/C31H45N3O7/c1-8-9-14-23(40-30(32)38)15-12-19-33-28(36)27(31(4,5)6)34-26(35)16-11-10-13-21(2)20-22(3)24-17-18-25(39-7)29(37)41-24/h8-13,16,18-20,22-24,27H,14-15,17H2,1-7H3,(H2,32,38)(H,33,36)(H,34,35)/b9-8-,13-10-,16-11-,19-12-,21-20+/t22-,23-,24-,27+/m0/s1
Synonyms:PM060184
Definition date:2014-08-19
Last modified:2020-06-17
Release date:2014-09-03
Identifier:(1Z,4S,6Z)-1-[(N-{(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-3,6-dihydro-2H-pyran-2-yl]-6-methylnona-2,4,6-trienoyl}-3-methyl-L-valyl)amino]octa-1,6-dien-4-yl carbamate
3HC
3HC
Name:3-HYDROXYBUTANOYL-COENZYME A
Formula:C25 H42 N7 O18 P3 S
SMILES:O=C(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)CC(O)C
InChi:InChI=1S/C25H42N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-14,18-20,24,33,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13-,14+,18+,19+,20-,24+/m0/s1
Synonyms:3-HYDROXYBUTYRYL-COENZYME A
Definition date:2000-05-31
Last modified:2020-06-17
Identifier:S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} (3S)-3-hydroxybutanethioate (non-preferred name)
3J8
3J8
Name:5-methylphenazin-1(5H)-one
Formula:C13 H10 N2 O
SMILES:O=C3C2=Nc1c(cccc1)N(C2=CC=C3)C
InChi:InChI=1S/C13H10N2O/c1-15-10-6-3-2-5-9(10)14-13-11(15)7-4-8-12(13)16/h2-8H,1H3
Synonyms:Pyocyanin
Definition date:2009-09-25
Last modified:2020-06-17
Identifier:5-methylphenazin-1(5H)-one
3JD
3JD
Name:2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide
Formula:C19 H20 N4 O
SMILES:O=C(c1cccc2cn(nc12)c3ccc(cc3)C4CCCNC4)N
InChi:InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1
Synonyms:Niraparib
Definition date:2014-08-26
Last modified:2020-06-17
Release date:2015-09-09
Identifier:2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide
H70
H70
Name:2,4-DICHLORO-6-(3,4,5-TRIBROMO-1H-PYRROL-2-YL)PHENOL
Formula:C10 H4 Br3 Cl2 N O
SMILES:Brc2c(c1cc(Cl)cc(Cl)c1O)nc(Br)c2Br
InChi:InChI=1S/C10H4Br3Cl2NO/c11-6-7(12)10(13)16-8(6)4-1-3(14)2-5(15)9(4)17/h1-2,16-17H
Synonyms:TRIBROMODICHLOROPSEUDILIN
Definition date:2010-08-10
Last modified:2020-06-17
Identifier:2,4-dichloro-6-(3,4,5-tribromo-1H-pyrrol-2-yl)phenol
3JL
3JL
Name:3-(3-carboxypropyl)benzene-1,2-dicarboxylic acid
Formula:C12 H12 O6
SMILES:O=C(O)c1cccc(c1C(=O)O)CCCC(=O)O
InChi:InChI=1S/C12H12O6/c13-9(14)6-2-4-7-3-1-5-8(11(15)16)10(7)12(17)18/h1,3,5H,2,4,6H2,(H,13,14)(H,15,16)(H,17,18)
Synonyms:3-carboxypropyl-phthalic acid
Definition date:2014-08-27
Last modified:2020-06-17
Release date:2014-12-10
Identifier:3-(3-carboxypropyl)benzene-1,2-dicarboxylic acid
3JM
3JM
Name:3-(2-carboxyethyl)benzene-1,2-dicarboxylic acid
Formula:C11 H10 O6
SMILES:O=C(O)c1cccc(c1C(=O)O)CCC(=O)O
InChi:InChI=1S/C11H10O6/c12-8(13)5-4-6-2-1-3-7(10(14)15)9(6)11(16)17/h1-3H,4-5H2,(H,12,13)(H,14,15)(H,16,17)
Synonyms:3-carboxy-ethyl-phthalic acid
Definition date:2014-08-27
Last modified:2020-06-17
Release date:2014-12-10
Identifier:3-(2-carboxyethyl)benzene-1,2-dicarboxylic acid
3K8
3K8
Name:(14aR)-2,3,6-trimethoxy-11,12,13,14,14a,15-hexahydro-9H-dibenzo[f,h]pyrido[1,2-b]isoquinoline
Formula:C24 H27 N O3
SMILES:O(c2ccc1c5c(c3c(c1c2)cc(OC)c(OC)c3)CC4N(CCCC4)C5)C
InChi:InChI=1S/C24H27NO3/c1-26-16-7-8-17-19(11-16)21-13-24(28-3)23(27-2)12-20(21)18-10-15-6-4-5-9-25(15)14-22(17)18/h7-8,11-13,15H,4-6,9-10,14H2,1-3H3/t15-/m1/s1
Synonyms:Cryptopleurine
Definition date:2014-09-01
Last modified:2020-06-17
Release date:2014-10-22
Identifier:(14aR)-2,3,6-trimethoxy-11,12,13,14,14a,15-hexahydro-9H-dibenzo[f,h]pyrido[1,2-b]isoquinoline
3KA
3KA
Name:1-(2-deoxy-5-O-phosphono-beta-L-erythro-pentofuranosyl)pyrimidine-2,4(1H,3H)-dione
Formula:C9 H13 N2 O8 P
SMILES:O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)CC2O
InChi:InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m1/s1
Synonyms:L-2'-DEOXYURIDINE-5'-MONOPHOSPHATE
Definition date:2014-09-03
Last modified:2020-06-17
Release date:2015-05-06
Identifier:1-(2-deoxy-5-O-phosphono-beta-L-erythro-pentofuranosyl)pyrimidine-2,4(1H,3H)-dione
3KE
3KE
Name:4-{[({3-[2-(4-methoxybenzyl)-2H-tetrazol-5-yl]phenyl}carbonyl)amino]methyl}benzoic acid
Formula:C24 H21 N5 O4
SMILES:O=C(O)c1ccc(cc1)CNC(=O)c4cccc(c2nn(nn2)Cc3ccc(OC)cc3)c4
InChi:InChI=1S/C24H21N5O4/c1-33-21-11-7-17(8-12-21)15-29-27-22(26-28-29)19-3-2-4-20(13-19)23(30)25-14-16-5-9-18(10-6-16)24(31)32/h2-13H,14-15H2,1H3,(H,25,30)(H,31,32)
Synonyms:4-((3-(2-(4-methoxybenzyl)-2H-tetrazol-5-yl)benzamido)methyl)benzoic acid
Definition date:2009-10-29
Last modified:2020-06-17
Identifier:4-{[({3-[2-(4-methoxybenzyl)-2H-tetrazol-5-yl]phenyl}carbonyl)amino]methyl}benzoic acid
N11
N11
Name:6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]hexan-1-ol
Formula:C12 H15 N3 O4 S
SMILES:[O-][N+](=O)c1ccc(SCCCCCCO)c2nonc12
InChi:InChI=1S/C12H15N3O4S/c16-7-3-1-2-4-8-20-10-6-5-9(15(17)18)11-12(10)14-19-13-11/h5-6,16H,1-4,7-8H2
Synonyms:6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol
Definition date:2009-04-08
Last modified:2020-06-17
Identifier:6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]hexan-1-ol
N1S
N1S
Name:(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
Formula:C15 H26 O
SMILES:CC(=CCCC(=CCCC(=C/CO)C)C)C
InChi:InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11-
Synonyms:cis,trans-Farnesol
Definition date:2019-04-29
Last modified:2020-06-17
Release date:2019-05-08
Identifier:(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol

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數據於2024-07-17公開中

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