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NZZ
NZZ
Name:(2Z)-3,7-dimethylocta-2,6-dien-1-ol
Formula:C10 H18 O
SMILES:C/C(C)=C/CCC(C)=[C@H]CO
InChi:InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7-
Synonyms:nerol
Definition date:2019-06-27
Last modified:2021-03-01
Release date:2020-07-01
Identifier:(2Z)-3,7-dimethylocta-2,6-dien-1-ol
FXV
FXV
Name:METHYL-3-(4'-N-OXOPYRIDYLPHENOYL)-3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE
Formula:C25 H27 N4 O4
SMILES:O=C(OC)C(Cc1cc(C(=[NH2+])N)ccc1)C(NC(=O)c3ccc(c2cc[n+]([O-])cc2)cc3)C
InChi:InChI=1S/C25H26N4O4/c1-16(22(25(31)33-2)15-17-4-3-5-21(14-17)23(26)27)28-24(30)20-8-6-18(7-9-20)19-10-12-29(32)13-11-19/h3-14,16,22H,15H2,1-2H3,(H3,26,27)(H,28,30)/p+1/t16-,22-/m1/s1
Synonyms:FXV673
Definition date:2002-01-31
Last modified:2021-03-01
Identifier:amino{3-[(2R,3R)-2-(methoxycarbonyl)-3-({[4-(1-oxidopyridin-4-yl)phenyl]carbonyl}amino)butyl]phenyl}methaniminium
FYP
FYP
Name:ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
Formula:C15 H14 F N3 O3
SMILES:CCOC(c3c2CN(C(c1c(ccc(c1)F)n2cn3)=O)C)=O
InChi:InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
Synonyms:Flumazenil
Definition date:2018-04-25
Last modified:2021-03-01
Release date:2018-06-27
Identifier:ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
O2Y
O2Y
Name:3-[(carboxymethyl)sulfanyl]pyridine-2-carboxylic acid
Formula:C8 H7 N O4 S
SMILES:O=C(CSc1c(nccc1)C(=O)O)O
InChi:InChI=1S/C8H7NO4S/c10-6(11)4-14-5-2-1-3-9-7(5)8(12)13/h1-3H,4H2,(H,10,11)(H,12,13)
Synonyms:3-(carboxymethylthio)picolinic acid
Definition date:2019-06-05
Last modified:2021-03-01
Release date:2019-09-18
Identifier:3-[(carboxymethyl)sulfanyl]pyridine-2-carboxylic acid
G01
G01
Name:N-[(R)-hydroxy(methyl)phosphoryl]-D-glutamic acid
Formula:C6 H12 N O6 P
SMILES:O=C(O)CCC(NP(=O)(O)C)C(=O)O
InChi:InChI=1S/C6H12NO6P/c1-14(12,13)7-4(6(10)11)2-3-5(8)9/h4H,2-3H2,1H3,(H,8,9)(H,10,11)(H2,7,12,13)/t4-/m1/s1
Synonyms:N-PHOSPHONOMETHYL-D-GLUTAMIC ACID
Definition date:2009-03-06
Last modified:2021-03-01
Identifier:N-[(R)-hydroxy(methyl)phosphoryl]-D-glutamic acid
G1R
G1R
Name:[(2R,3R,4R,5R)-5-(2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4R,5S)-3,4,5-TRIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
Formula:C15 H23 N5 O15 P2
SMILES:O=C4NC(=Nc1c4ncn1C2OC(C(O)C2O)COP(=O)(O)OP(=O)(O)OCC3OC(O)C(O)C3O)N
InChi:InChI=1S/C15H23N5O15P2/c16-15-18-11-6(12(25)19-15)17-3-20(11)13-9(23)7(21)4(33-13)1-31-36(27,28)35-37(29,30)32-2-5-8(22)10(24)14(26)34-5/h3-5,7-10,13-14,21-24,26H,1-2H2,(H,27,28)(H,29,30)(H3,16,18,19,25)/t4-,5-,7+,8-,9-,10-,13-,14+/m1/s1
Synonyms:GUANOSINE DIPHOSPHORIBOSE
Definition date:2006-08-30
Last modified:2021-03-01
Identifier:[(2R,3R,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5S)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
G23
G23
Name:(2R,4S)-2-[(R)-BENZYLCARBAMOYL-PHENYLACETYL-METHYL]-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID
Formula:C23 H27 N3 O4 S
SMILES:O=C(NC(C(=O)NCc1ccccc1)C2SC(C(N2)C(=O)O)(C)C)Cc3ccccc3
InChi:InChI=1S/C23H27N3O4S/c1-23(2)19(22(29)30)26-21(31-23)18(20(28)24-14-16-11-7-4-8-12-16)25-17(27)13-15-9-5-3-6-10-15/h3-12,18-19,21,26H,13-14H2,1-2H3,(H,24,28)(H,25,27)(H,29,30)/t18-,19+,21-/m1/s1
Synonyms:GR123976
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:(2R,4S)-2-{(1R)-2-(benzylamino)-2-oxo-1-[(phenylacetyl)amino]ethyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
G2H
G2H
Name:2-HYDROXY-1-(HYDROXYMETHYL)ETHYL DIHYDROGEN PHOSPHATE
Formula:C3 H9 O6 P
SMILES:O=P(O)(O)OC(CO)CO
InChi:InChI=1S/C3H9O6P/c4-1-3(2-5)9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)
Synonyms:GLYCEROL-2-PHOSPHATE
Definition date:2004-08-19
Last modified:2021-03-01
Identifier:2-hydroxy-1-(hydroxymethyl)ethyl dihydrogen phosphate
G2K
G2K
Name:2-{(2S)-1-[(2-chlorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide
Formula:C25 H25 Cl N4 O5
SMILES:C2(=O)C(O)=C(C(=O)NCCc1ccccc1)N=C(N2)C3CCCN3C(COc4ccccc4Cl)=O
InChi:InChI=1S/C25H25ClN4O5/c26-17-9-4-5-11-19(17)35-15-20(31)30-14-6-10-18(30)23-28-21(22(32)25(34)29-23)24(33)27-13-12-16-7-2-1-3-8-16/h1-5,7-9,11,18,32H,6,10,12-15H2,(H,27,33)(H,28,29,34)/t18-/m0/s1
Synonyms:SRI-29843
Definition date:2017-07-11
Last modified:2021-03-01
Release date:2018-01-03
Identifier:2-{(2S)-1-[(2-chlorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide
G2R
G2R
Name:[(2R,3R,4R,5R)-5-(2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4S)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
Formula:C15 H23 N5 O14 P2
SMILES:O=P(O)(OCC1OCC(O)C1O)OP(=O)(O)OCC4OC(n3cnc2c3N=C(N)NC2=O)C(O)C4O
InChi:InChI=1S/C15H23N5O14P2/c16-15-18-12-8(13(25)19-15)17-4-20(12)14-11(24)10(23)7(33-14)3-32-36(28,29)34-35(26,27)31-2-6-9(22)5(21)1-30-6/h4-7,9-11,14,21-24H,1-3H2,(H,26,27)(H,28,29)(H3,16,18,19,25)/t5-,6+,7+,9-,10-,11+,14+/m0/s1
Synonyms:GUANOSINE DIPHOSPHORIBOSE INTERMEDIATE
Definition date:2006-08-30
Last modified:2021-03-01
Identifier:[(2R,3R,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4S)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
G3K
G3K
Name:2-{(2R)-1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid
Formula:C19 H20 Cl N3 O6
SMILES:C1(NC(=NC(=C1O)C(O)=O)C3CCCN3C(=O)C(C)(C)Oc2ccc(Cl)cc2)=O
InChi:InChI=1S/C19H20ClN3O6/c1-19(2,29-11-7-5-10(20)6-8-11)18(28)23-9-3-4-12(23)15-21-13(17(26)27)14(24)16(25)22-15/h5-8,12,24H,3-4,9H2,1-2H3,(H,26,27)(H,21,22,25)/t12-/m1/s1
Synonyms:SRI-29782
Definition date:2017-07-11
Last modified:2021-03-01
Release date:2018-01-03
Identifier:2-{(2R)-1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid
G3Q
G3Q
Name:R-Talinolol
Formula:C20 H33 N3 O3
SMILES:CC(C)(C)NC[CH](O)COc1ccc(NC(=O)NC2CCCCC2)cc1
InChi:InChI=1S/C20H33N3O3/c1-20(2,3)21-13-17(24)14-26-18-11-9-16(10-12-18)23-19(25)22-15-7-5-4-6-8-15/h9-12,15,17,21,24H,4-8,13-14H2,1-3H3,(H2,22,23,25)/t17-/m1/s1
Synonyms:Talinolol
Definition date:2018-08-23
Last modified:2021-03-01
Release date:2019-07-03
Identifier:1-[4-[(2~{R})-3-(~{tert}-butylamino)-2-oxidanyl-propoxy]phenyl]-3-cyclohexyl-urea
G4W
G4W
Name:6-[4-[(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]carbonylpiperidin-1-yl]pyrimidine-4-carbonitrile
Formula:C20 H20 F2 N6 O
SMILES:Fc1cc(F)cc(c1)[CH]2CCNN2C(=O)C3CCN(CC3)c4cc(ncn4)C#N
InChi:InChI=1S/C20H20F2N6O/c21-15-7-14(8-16(22)9-15)18-1-4-26-28(18)20(29)13-2-5-27(6-3-13)19-10-17(11-23)24-12-25-19/h7-10,12-13,18,26H,1-6H2/t18-/m0/s1
Synonyms:GSK547
Definition date:2018-08-28
Last modified:2021-03-01
Release date:2018-12-12
Identifier:6-[4-[(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]carbonylpiperidin-1-yl]pyrimidine-4-carbonitrile
G6M
G6M
Name:2-chloro-N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide
Formula:C16 H19 Cl F N3 O4
SMILES:c1c(c(cc(c1)N2C(=O)OC(C2)CNC(CCl)=O)F)N3CCOCC3
InChi:InChI=1S/C16H19ClFN3O4/c17-8-15(22)19-9-12-10-21(16(23)25-12)11-1-2-14(13(18)7-11)20-3-5-24-6-4-20/h1-2,7,12H,3-6,8-10H2,(H,19,22)/t12-/m0/s1
Synonyms:oxazolidinone antibiotic LZD-6
Definition date:2018-05-10
Last modified:2021-03-01
Release date:2019-03-20
Identifier:2-chloro-N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide
1CY
1CY
Name:1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
Formula:C11 H14 Cl N5
SMILES:Clc1ccc(cc1)N2C(=NC(=NC2(C)C)N)N
InChi:InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16)
Synonyms:Cycloguanil
Definition date:2009-08-25
Last modified:2021-03-01
Identifier:1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
1DB
1DB
Name:1-DECANE-SULFONIC-ACID
Formula:C10 H22 O3 S
SMILES:O=S(=O)(O)CCCCCCCCCC
InChi:InChI=1S/C10H22O3S/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h2-10H2,1H3,(H,11,12,13)
Synonyms:DECANE-1-SULFONIC ACID
Definition date:2006-02-23
Last modified:2021-03-01
Identifier:decane-1-sulfonic acid
OAL
OAL
Name:(1,8-DIHYDROXY-9,10-DIOXO-9,10-DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID
Formula:C16 H10 O6
SMILES:O=C2c1cccc(O)c1C(=O)c3c2ccc(c3O)CC(=O)O
InChi:InChI=1S/C16H10O6/c17-10-3-1-2-8-12(10)16(22)13-9(15(8)21)5-4-7(14(13)20)6-11(18)19/h1-5,17,20H,6H2,(H,18,19)
Synonyms:OXIDIZED ACETYL DITHRANOL
Definition date:2002-12-12
Last modified:2021-03-01
Identifier:(1,8-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)acetic acid
OAN
OAN
Name:O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE
Formula:C15 H19 N3 O7
SMILES:O=C(ON=C1/OC(CO)C(O)C(O)C1NC(=O)C)Nc2ccccc2
InChi:InChI=1S/C15H19N3O7/c1-8(20)16-11-13(22)12(21)10(7-19)24-14(11)18-25-15(23)17-9-5-3-2-4-6-9/h2-6,10-13,19,21-22H,7H2,1H3,(H,16,20)(H,17,23)/b18-14-/t10-,11-,12-,13-/m1/s1
Synonyms:PUGNAc
Definition date:2006-01-05
Last modified:2021-03-01
Identifier:N-[(2Z,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(phenylcarbamoyl)oxy]imino}tetrahydro-2H-pyran-3-yl]acetamide (non-preferred name)
OBE
OBE
Name:3-(3-HYDROXY-BENZOYLOXY)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID
Formula:C16 H19 N O5
SMILES:[O-]C(=O)C3C1[NH+](C)C(CC1)CC3OC(=O)c2cccc(O)c2
InChi:InChI=1S/C16H19NO5/c1-17-10-5-6-12(17)14(15(19)20)13(8-10)22-16(21)9-3-2-4-11(18)7-9/h2-4,7,10,12-14,18H,5-6,8H2,1H3,(H,19,20)/t10-,12+,13-,14+/m0/s1
Synonyms:META-OXYBENZOYLECGONINE
Definition date:2003-11-20
Last modified:2021-03-01
Identifier:(1R,2R,3S,5S,8S)-3-{[(3-hydroxyphenyl)carbonyl]oxy}-8-methyl-8-azoniabicyclo[3.2.1]octane-2-carboxylate
OBG
OBG
Name:6-(benzyloxy)-9H-purin-2-amine
Formula:C12 H11 N5 O
SMILES:Nc1nc2[nH]cnc2c(OCc3ccccc3)n1
InChi:InChI=1S/C12H11N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17)
Synonyms:o6-benzylguanine
Definition date:2010-01-06
Last modified:2021-03-01
Identifier:6-phenylmethoxy-9H-purin-2-amine
OBP
OBP
Name:2'-HYDROXY-1,1'-BIPHENYL-2-SULFINIC ACID
Formula:C12 H10 O3 S
SMILES:O=S(O)c2c(c1ccccc1O)cccc2
InChi:InChI=1S/C12H10O3S/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)16(14)15/h1-8,13H,(H,14,15)
Synonyms:2'-HYDROXYBIPHENYL-2-SULFINIC ACID
Definition date:2004-10-15
Last modified:2021-03-01
Identifier:2'-hydroxybiphenyl-2-sulfinic acid
OCH
OCH
Name:QUINOLIN-2(1H)-ONE
Formula:C9 H7 N O
SMILES:O=C2C=Cc1c(cccc1)N2
InChi:InChI=1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)
Synonyms:2-OXOQUINOLINE
Definition date:2005-03-17
Last modified:2021-03-01
Identifier:quinolin-2(1H)-one
G90
G90
Name:2-[(2S)-3-[[1-(1H-indol-3-yl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile
Formula:C22 H25 N3 O2
SMILES:N#Cc3ccccc3OCC(O)CNC(C)(C)Cc2c1ccccc1nc2
InChi:InChI=1S/C22H25N3O2/c1-22(2,11-17-13-24-20-9-5-4-8-19(17)20)25-14-18(26)15-27-21-10-6-3-7-16(21)12-23/h3-10,13,18,24-26H,11,14-15H2,1-2H3/t18-/m0/s1
Synonyms:BUCINDOLOL
Definition date:2012-03-11
Last modified:2021-03-01
Identifier:2-{[(2S)-2-hydroxy-3-{[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino}propyl]oxy}benzonitrile
G9A
G9A
Name:(2E)-pent-2-enedioic acid
Formula:C5 H6 O4
SMILES:O=C(O)C=CCC(=O)O
InChi:InChI=1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)/b2-1+
Synonyms:Glutaconic acid
Definition date:2014-08-12
Last modified:2021-03-01
Release date:2014-09-24
Identifier:(2E)-pent-2-enedioic acid
PM7
PM7
Name:(5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one
Formula:C21 H25 N3 O
SMILES:N2C(=O)C61CCCN1CC23C(C(c5c(C3)c4c(cccc4)n5)(C)C)C6
InChi:InChI=1S/C21H25N3O/c1-19(2)16-11-21-8-5-9-24(21)12-20(16,23-18(21)25)10-14-13-6-3-4-7-15(13)22-17(14)19/h3-4,6-7,16,22H,5,8-12H2,1-2H3,(H,23,25)/t16-,20+,21-/m0/s1
Synonyms:premalbrancheamide E
Definition date:2017-07-17
Last modified:2021-03-01
Release date:2017-08-16
Identifier:(5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one

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數據於2025-07-09公開中

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