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WJP
WJP
Name:methyl (3R,6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-yl dihydrogen diphosphate
Formula:C26 H48 O7 P2
SMILES:CC(CC[C@H]=C(CCC=C(/C)CCC=C(CC[C@H]=C(C)C)C)C)CCOP(=O)(O)OP(OC)(=O)O
InChi:InChI=1S/C26H48O7P2/c1-22(2)12-8-13-23(3)14-9-15-24(4)16-10-17-25(5)18-11-19-26(6)20-21-32-35(29,30)33-34(27,28)31-7/h12,14,16,18,26H,8-11,13,15,17,19-21H2,1-7H3,(H,27,28)(H,29,30)/b23-14+,24-16+,25-18-/t26-/m1/s1
Synonyms:dolichol-pp
Definition date:2020-10-30
Last modified:2021-03-01
Release date:2020-11-11
Identifier:methyl (3R,6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-yl dihydrogen diphosphate
US5
US5
Name:1-(5-O-phosphono-beta-D-ribofuranosyl)-4-selanylpyrimidin-2(1H)-one
Formula:C9 H13 N2 O8 P Se
SMILES:O=P(O)(O)OCC2OC(N1C(=O)N=C([SeH])C=C1)C(O)C2O
InChi:InChI=1S/C9H13N2O8PSe/c12-6-4(3-18-20(15,16)17)19-8(7(6)13)11-2-1-5(21)10-9(11)14/h1-2,4,6-8,12-13H,3H2,(H,10,14,21)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1
Synonyms:4-Se-ribouridine-5'-phosphate
Definition date:2009-07-17
Last modified:2021-03-01
Identifier:1-(5-O-phosphono-beta-D-ribofuranosyl)-4-selanylpyrimidin-2(1H)-one
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
SSO
SSO
Name:1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDROXY-3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-D-ARABINITOL INNER SALT
Formula:C9 H18 O9 S2
SMILES:[O-]S([O-])([O-])OC(CO)C(O)C[S+]1C(CO)C(O)C(O)C1
InChi:InChI=1S/C9H20O9S2/c10-1-7(18-20(15,16)17)5(12)3-19-4-6(13)9(14)8(19)2-11/h5-14H,1-4H2,(H2-,15,16,17)/p-2/t5-,6-,7+,8-,9+,19-/m1/s1
Synonyms:SALACINOL
Definition date:2004-06-22
Last modified:2021-03-01
Identifier:({[(1S,2S)-3-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-2-hydroxy-1-(hydroxymethyl)propyl]oxy}-lambda~4~-sulfanetriyl)trioxidanide (non-preferred name)
N3C
N3C
Name:4-{4-[(4'-CHLOROBIPHENYL-2-YL)METHYL]PIPERAZIN-1-YL}-N-{[4-({(1R)-3-(DIMETHYLAMINO)-1-[(PHENYLTHIO)METHYL]PROPYL}AMINO)-3-NITROPHENYL]SULFONYL}BENZAMIDE
Formula:C42 H45 Cl N6 O5 S2
SMILES:[O-][N+](=O)c2cc(ccc2NC(CCN(C)C)CSc1ccccc1)S(=O)(=O)NC(=O)c6ccc(N5CCN(Cc4c(c3ccc(Cl)cc3)cccc4)CC5)cc6
InChi:InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1
Synonyms:ABT-737
Definition date:2007-05-01
Last modified:2021-03-01
Identifier:4-{4-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-yl}-N-{[4-({(1R)-3-(dimethylamino)-1-[(phenylsulfanyl)methyl]propyl}amino)-3-nitrophenyl]sulfonyl}benzamide
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
N3E
N3E
Name:1-[3-(4-CARBOXYPIPERIDIN-1-YL)-3-DEOXY-BETA-D-ARABINOFURANOSYL]PYRIMIDINE-2,4(1H,3H)-DIONE
Formula:C15 H21 N3 O7
SMILES:O=C(O)C3CCN(C2C(OC(N1C(=O)NC(=O)C=C1)C2O)CO)CC3
InChi:InChI=1S/C15H21N3O7/c19-7-9-11(17-4-1-8(2-5-17)14(22)23)12(21)13(25-9)18-6-3-10(20)16-15(18)24/h3,6,8-9,11-13,19,21H,1-2,4-5,7H2,(H,22,23)(H,16,20,24)/t9-,11-,12+,13-/m1/s1
Synonyms:3-N-PIPERIDINE-4-CARBOXYL-3-DEOXY-ARA-URIDINE
Definition date:2006-03-17
Last modified:2021-03-01
Identifier:1-[3-(4-carboxypiperidin-1-yl)-3-deoxy-beta-D-arabinofuranosyl]pyrimidine-2,4(1H,3H)-dione
ZYC
ZYC
Name:ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Formula:C12 H14 O4
SMILES:O=C(OCC)C=Cc1cc(OC)c(O)cc1
InChi:InChI=1S/C12H14O4/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2/h4-8,13H,3H2,1-2H3/b7-5+
Synonyms:ethyl ferulate
Definition date:2010-10-29
Last modified:2021-03-01
Identifier:ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
U16
U16
Name:METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-3-(4-ISOPROPYLPHENYL)PROPANOYL]-D-ALANYL-D-LEUCINATE
Formula:C22 H35 N3 O5
SMILES:O=C(OC)C(NC(=O)C(NC(=O)C(O)C(N)c1ccc(cc1)C(C)C)C)CC(C)C
InChi:InChI=1S/C22H35N3O5/c1-12(2)11-17(22(29)30-6)25-20(27)14(5)24-21(28)19(26)18(23)16-9-7-15(8-10-16)13(3)4/h7-10,12-14,17-19,26H,11,23H2,1-6H3,(H,24,28)(H,25,27)/t14-,17+,18+,19-/m0/s1
Synonyms:2-{2-[3-AMINO-2-HYDROXY-3-(4-ISOPROPYL-PHENYL)-PROPIONYLAMINO]-PROPIONYLAMINO}-4-METHYL-PENTANOIC ACID METHYL ESTER
Definition date:2006-04-03
Last modified:2021-03-01
Identifier:methyl N-{(2S,3R)-3-amino-2-hydroxy-3-[4-(1-methylethyl)phenyl]propanoyl}-L-alanyl-D-leucinate
ORA
ORA
Name:7-hydroxy-8-[(E)-phenyldiazenyl]naphthalene-1,3-disulfonic acid
Formula:C16 H12 N2 O7 S2
SMILES:O=S(=O)(O)c3c2c(ccc(O)c2/N=N/c1ccccc1)cc(c3)S(=O)(=O)O
InChi:InChI=1S/C16H12N2O7S2/c19-13-7-6-10-8-12(26(20,21)22)9-14(27(23,24)25)15(10)16(13)18-17-11-4-2-1-3-5-11/h1-9,19H,(H,20,21,22)(H,23,24,25)/b18-17+
Synonyms:Orange G
Definition date:2010-10-27
Last modified:2021-03-01
Identifier:7-hydroxy-8-[(E)-phenyldiazenyl]naphthalene-1,3-disulfonic acid
XX6
XX6
Name:2-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-1,3-DIOL
Formula:C20 H23 N O4
SMILES:OCC(NCC(O)COc2cc3c(c1c2cccc1)cccc3)CO
InChi:InChI=1S/C20H23NO4/c22-11-15(12-23)21-10-16(24)13-25-20-9-14-5-1-2-6-17(14)18-7-3-4-8-19(18)20/h1-9,15-16,21-24H,10-13H2/t16-/m1/s1
Synonyms:(R)-DIHYDROXY-PHENANTHRENOLOL
Definition date:2007-06-19
Last modified:2021-03-01
Identifier:2-{[(2R)-2-hydroxy-3-(phenanthren-9-yloxy)propyl]amino}propane-1,3-diol
AKV
AKV
Name:{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE
Formula:C22 H22 O8
SMILES:O=C2c1cccc(O)c1C(=O)c3c2cc(c(c3O)C(O)CC(O)CC)CC(=O)OC
InChi:InChI=1S/C22H22O8/c1-3-11(23)9-15(25)17-10(8-16(26)30-2)7-13-19(21(17)28)22(29)18-12(20(13)27)5-4-6-14(18)24/h4-7,11,15,23-25,28H,3,8-9H2,1-2H3/t11-,15+/m0/s1
Synonyms:DERIVATIVE OF AKLANONIC ACID METHYL ESTER (AAME)
Definition date:2006-02-07
Last modified:2021-03-01
Identifier:methyl {3-[(1R,3S)-1,3-dihydroxypentyl]-4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl}acetate
W42
W42
Name:5-(5-(2,6-DICHLORO-4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)PENTYL)-3-(HYDROXYETHYL OXYMETHYLENEOXYMETHYL) ISOXAZOLE
Formula:C21 H26 Cl2 N2 O6
SMILES:Clc3c(OCCCCCc1onc(c1)COCOCCO)c(Cl)cc(C2=NCCO2)c3
InChi:InChI=1S/C21H26Cl2N2O6/c22-18-10-15(21-24-5-8-30-21)11-19(23)20(18)29-7-3-1-2-4-17-12-16(25-31-17)13-28-14-27-9-6-26/h10-12,26H,1-9,13-14H2
Synonyms:COMPOUND WIN VIII
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:2-{[(5-{5-[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl}isoxazol-3-yl)methoxy]methoxy}ethanol
X1E
X1E
Name:(2S,5R,6R)-6-AMINO-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID
Formula:C8 H12 N2 O3 S
SMILES:O=C(O)C1N2C(=O)C(N)C2SC1(C)C
InChi:InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1
Synonyms:6-AMINOPENICILLANIC ACID
Definition date:2009-12-23
Last modified:2021-03-01
Identifier:(2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
ORI
ORI
Name:4-[(E)-(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid
Formula:C16 H12 N2 O4 S
SMILES:O=S(=O)(O)c3ccc(/N=N/c2c1ccccc1c(O)cc2)cc3
InChi:InChI=1S/C16H12N2O4S/c19-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)23(20,21)22/h1-10,19H,(H,20,21,22)/b18-17+
Synonyms:Orange I
Definition date:2013-03-12
Last modified:2021-03-01
Release date:2014-02-12
Identifier:4-[(E)-(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid
LHP
LHP
Name:(3beta,5beta,9beta)-3-(propanoyloxy)cholan-24-oic acid
Formula:C27 H44 O4
SMILES:O=C(O)CCC(C4C3(C(C2C(C1(CCC(OC(=O)CC)CC1CC2)C)CC3)CC4)C)C
InChi:InChI=1S/C27H44O4/c1-5-25(30)31-19-12-14-26(3)18(16-19)7-8-20-22-10-9-21(17(2)6-11-24(28)29)27(22,4)15-13-23(20)26/h17-23H,5-16H2,1-4H3,(H,28,29)/t17-,18-,19-,20+,21-,22+,23+,26+,27-/m1/s1
Synonyms:Lithocholic acid propionate
Definition date:2013-02-08
Last modified:2021-03-01
Release date:2013-06-26
Identifier:(3beta,5beta,9beta)-3-(propanoyloxy)cholan-24-oic acid
UT0
UT0
Name:1-[4-ethoxy-3-[(1-methylsulfonylindol-6-yl)amino]phenyl]ethanone
Formula:C19 H20 N2 O4 S
SMILES:CCOc1ccc(cc1Nc2ccc3ccn(c3c2)[S](C)(=O)=O)C(C)=O
InChi:InChI=1S/C19H20N2O4S/c1-4-25-19-8-6-15(13(2)22)11-17(19)20-16-7-5-14-9-10-21(18(14)12-16)26(3,23)24/h5-12,20H,4H2,1-3H3
Synonyms:UT07C
Definition date:2016-12-09
Last modified:2021-03-01
Release date:2017-12-20
Identifier:1-[4-ethoxy-3-[(1-methylsulfonylindol-6-yl)amino]phenyl]ethanone
U1K
U1K
Name:(S)-2-AMINO-3-(3-HYDROXY-5-TERT-BUTYLISOTHIAZOL-4-YL) PROPRIONIC ACID
Formula:C10 H16 N2 O3 S
SMILES:[O-]c1nsc(c1CC(C(=O)O)[NH3+])C(C)(C)C
InChi:InChI=1S/C10H16N2O3S/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)/t6-/m0/s1
Synonyms:THIO-ATPA
Definition date:2003-08-05
Last modified:2021-03-01
Identifier:4-[(2S)-2-ammonio-2-carboxyethyl]-5-tert-butylisothiazol-3-olate
AL2
AL2
Name:3,4-DIHYDRO-4-HYDROXY-2-(4-METHOXYPHENYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE
Formula:C13 H14 N2 O6 S3
SMILES:O=S(=O)(c1sc3c(c1)C(O)CN(c2ccc(OC)cc2)S3(=O)=O)N
InChi:InChI=1S/C13H14N2O6S3/c1-21-9-4-2-8(3-5-9)15-7-11(16)10-6-12(23(14,17)18)22-13(10)24(15,19)20/h2-6,11,16H,7H2,1H3,(H2,14,17,18)/t11-/m0/s1
Synonyms:AL5424
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:(4R)-4-hydroxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide
AL3
AL3
Name:3,4-DIHYDRO-4-HYDROXY-2-(2-THIENYMETHYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE
Formula:C11 H12 N2 O5 S4
SMILES:O=S(=O)(c1sc3c(c1)C(O)CN(Cc2sccc2)S3(=O)=O)N
InChi:InChI=1S/C11H12N2O5S4/c12-21(15,16)10-4-8-9(14)6-13(5-7-2-1-3-19-7)22(17,18)11(8)20-10/h1-4,9,14H,5-6H2,(H2,12,15,16)/t9-/m0/s1
Synonyms:AL5300
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:(4R)-4-hydroxy-2-(thiophen-2-ylmethyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide
AL4
AL4
Name:(R)-4-ETHYLAMINO-3,4-DIHYDRO-2-(2-METHOYLETHYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE
Formula:C11 H19 N3 O5 S3
SMILES:O=S(=O)(c1sc2c(c1)C(NCC)CN(CCOC)S2(=O)=O)N
InChi:InChI=1S/C11H19N3O5S3/c1-3-13-9-7-14(4-5-19-2)22(17,18)11-8(9)6-10(20-11)21(12,15)16/h6,9,13H,3-5,7H2,1-2H3,(H2,12,15,16)/t9-/m0/s1
Synonyms:AL4623
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:(4R)-4-(ethylamino)-2-(2-methoxyethyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide
RZX
RZX
Name:2-[(R)-{[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfinyl]-1H-benzimidazole
Formula:C18 H21 N3 O3 S
SMILES:O=S(c2nc1ccccc1n2)Cc3nccc(OCCCOC)c3C
InChi:InChI=1S/C18H21N3O3S/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)/t25-/m1/s1
Synonyms:Rabeprazole
Definition date:2010-11-09
Last modified:2021-03-01
Identifier:2-[(R)-{[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfinyl]-1H-benzimidazole
PL9
PL9
Name:2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE
Formula:C53 H80 O2
SMILES:O=C1C(=CC(=O)C(=C1C)C)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C
InChi:InChI=1S/C53H80O2/c1-40(2)21-13-22-41(3)23-14-24-42(4)25-15-26-43(5)27-16-28-44(6)29-17-30-45(7)31-18-32-46(8)33-19-34-47(9)35-20-36-48(10)37-38-51-39-52(54)49(11)50(12)53(51)55/h21,23,25,27,29,31,33,35,37,39H,13-20,22,24,26,28,30,32,34,36,38H2,1-12H3
Synonyms:PLASTOQUINONE 9
Definition date:2001-06-25
Last modified:2021-03-01
Identifier:2,3-dimethyl-5-(3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl)cyclohexa-2,5-diene-1,4-dione
AL6
AL6
Name:2-(3-METHOXYPHENYL)-2H-THIENO-[3,2-E]-1,2-THIAZINE-6-SULFINAMIDE-1,1-DIOXIDE
Formula:C13 H12 N2 O5 S3
SMILES:O=S(=O)(c1sc3c(c1)C=CN(c2cccc(OC)c2)S3(=O)=O)N
InChi:InChI=1S/C13H12N2O5S3/c1-20-11-4-2-3-10(8-11)15-6-5-9-7-12(22(14,16)17)21-13(9)23(15,18)19/h2-8H,1H3,(H2,14,16,17)
Synonyms:AL6528
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:2-(3-methoxyphenyl)-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide
PLB
PLB
Name:2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID
Formula:C18 H11 Cl2 N3 O4
SMILES:Clc1ccc(c(Cl)c1)C(=O)Nc3c(C(=O)O)cc(Oc2ncccn2)cc3
InChi:InChI=1S/C18H11Cl2N3O4/c19-10-2-4-12(14(20)8-10)16(24)23-15-5-3-11(9-13(15)17(25)26)27-18-21-6-1-7-22-18/h1-9H,(H,23,24)(H,25,26)
Synonyms:5-(2-PYRIMIDINYLOXY)-2-BENZOYLAMINOBENZOIC ACID
Definition date:2004-08-24
Last modified:2021-03-01
Identifier:2-{[(2,4-dichlorophenyl)carbonyl]amino}-5-(pyrimidin-2-yloxy)benzoic acid

226262

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