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429
429
Name:2-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY-3-HYDROXY-PHENYL)-PROPIONYLAMINO]-BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER
Formula:C25 H30 N2 O10
SMILES:O=C(OC)c2c(O)cccc2OCCCCNC(=O)C(NC(=O)C)Cc1ccc(OCC(=O)O)c(O)c1
InChi:InChI=1S/C25H30N2O10/c1-15(28)27-17(12-16-8-9-20(19(30)13-16)37-14-22(31)32)24(33)26-10-3-4-11-36-21-7-5-6-18(29)23(21)25(34)35-2/h5-9,13,17,29-30H,3-4,10-12,14H2,1-2H3,(H,26,33)(H,27,28)(H,31,32)/t17-/m0/s1
Synonyms:COMPOUND 20
Definition date:2003-09-16
Last modified:2021-03-01
Identifier:{4-[(2S)-2-(acetylamino)-3-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}amino)-3-oxopropyl]-2-hydroxyphenoxy}acetic acid
42U
42U
Name:4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[2-(piperazin-1-yl)ethyl]-2-(trifluoromethyl)aniline
Formula:C22 H23 F4 N5
SMILES:FC(F)(F)c4c(NCCN1CCNCC1)ccc(c3cnnc3c2ccc(F)cc2)c4
InChi:InChI=1S/C22H23F4N5/c23-17-4-1-15(2-5-17)21-18(14-29-30-21)16-3-6-20(19(13-16)22(24,25)26)28-9-12-31-10-7-27-8-11-31/h1-6,13-14,27-28H,7-12H2,(H,29,30)
Synonyms:CBR-9393
Definition date:2015-01-23
Last modified:2021-03-01
Release date:2015-07-22
Identifier:4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[2-(piperazin-1-yl)ethyl]-2-(trifluoromethyl)aniline
43X
43X
Name:[(2R,5S)-5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl]methyl dihydrogen phosphate
Formula:C8 H11 F N3 O6 P S
SMILES:O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C(F)=C1)CS2
InChi:InChI=1S/C8H11FN3O6PS/c9-4-1-12(8(13)11-7(4)10)5-3-20-6(18-5)2-17-19(14,15)16/h1,5-6H,2-3H2,(H2,10,11,13)(H2,14,15,16)/t5-,6+/m0/s1
Synonyms:FTC-MP
Definition date:2015-02-03
Last modified:2021-03-01
Release date:2017-01-11
Identifier:[(2R,5S)-5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl]methyl dihydrogen phosphate
OTP
OTP
Name:(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE
Formula:C40 H68 O7 P2
SMILES:O=P(O)(O)OP(=O)(O)OC/C=C(/CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C)C
InChi:InChI=1S/C40H68O7P2/c1-33(2)17-10-18-34(3)19-11-20-35(4)21-12-22-36(5)23-13-24-37(6)25-14-26-38(7)27-15-28-39(8)29-16-30-40(9)31-32-46-49(44,45)47-48(41,42)43/h17,19,21,23,25,27,29,31H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,44,45)(H2,41,42,43)/b34-19+,35-21+,36-23+,37-25+,38-27+,39-29+,40-31+
Synonyms:OCTAPRENYL PYROPHOSPHATE
Definition date:2004-12-06
Last modified:2021-03-01
Identifier:(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate
OTR
OTR
Name:4-(2R-AMINO-1-HYDROXYETHYL)PHENOL
Formula:C8 H11 N O2
SMILES:OC(c1ccc(O)cc1)CN
InChi:InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/t8-/m0/s1
Synonyms:R-OCTOPAMINE
Definition date:2003-11-12
Last modified:2021-03-01
Identifier:4-[(1R)-2-amino-1-hydroxyethyl]phenol
OTS
OTS
Name:4-(2S-AMINO-1-HYDROXYETHYL)PHENOL
Formula:C8 H11 N O2
SMILES:OC(c1ccc(O)cc1)CN
InChi:InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/t8-/m1/s1
Synonyms:S-OCTOPAMINE
Definition date:2003-11-12
Last modified:2021-03-01
Identifier:4-[(1S)-2-amino-1-hydroxyethyl]phenol
44D
44D
Name:7-[5-(4-AMINO-5-HYDROXY-6-METHYL-TETRAHYDRO-PYRAN-2-YLOXY)-4-HYDROXY-6-METHYL-TETRAHYDRO-PYRAN-2-YLOXY]-6,9,11-TRIHYDROXY-9-(2-HYDROXY-ACETYL)-7,8,9,10-TETRAHYDRO-NAPHTHACENE-5,12-DIONE
Formula:C32 H37 N O13
SMILES:O=C2c1c(O)c6c(c(O)c1C(=O)c3ccccc23)CC(O)(C(=O)CO)CC6OC5OC(C(OC4OC(C)C(O)C(N)C4)C(O)C5)C
InChi:InChI=1S/C32H37NO13/c1-12-26(37)17(33)7-21(43-12)46-31-13(2)44-22(8-18(31)35)45-19-10-32(42,20(36)11-34)9-16-23(19)30(41)25-24(29(16)40)27(38)14-5-3-4-6-15(14)28(25)39/h3-6,12-13,17-19,21-22,26,31,34-35,37,40-42H,7-11,33H2,1-2H3/t12-,13-,17-,18-,19-,21-,22-,26+,31+,32-/m0/s1
Synonyms:4'-(O-ALPHA-L-DAUNOSAMINYL)-4-DEMETHOXYDOXORUBICIN
Definition date:2002-12-16
Last modified:2021-03-01
Identifier:(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 4-O-(3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)-2,6-dideoxy-alpha-L-lyxo-hexopyranoside
OVE
OVE
Name:2'-O-(sulfidophosphinato)adenosine
Formula:C10 H14 N5 O6 P S
SMILES:[O-]P([S-])(=O)OC3C(O)C(OC3n2cnc1c(ncnc12)N)CO
InChi:InChI=1S/C10H14N5O6PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(21-22(18,19)23)6(17)4(1-16)20-10/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,23)/p-2/t4-,6-,7-,10-/m1/s1
Synonyms:ADENOSINE-2'-MONOPHOSPHOROTHIOATE
Definition date:2012-10-29
Last modified:2021-03-01
Release date:2013-07-10
Identifier:2'-O-(sulfidophosphinato)adenosine
460
460
Name:2-[5-(6-METHYLPYRIDIN-2-YL)-2,3-DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE
Formula:C17 H15 N5
SMILES:n1c(cccc1C4=C(c3nc2c(nccc2)cc3)CNN4)C
InChi:InChI=1S/C17H15N5/c1-11-4-2-5-16(20-11)17-12(10-19-22-17)13-7-8-14-15(21-13)6-3-9-18-14/h2-9,19,22H,10H2,1H3
Synonyms:NAPHTHYRIDINE INHIBITOR
Definition date:2004-04-21
Last modified:2021-03-01
Identifier:2-[5-(6-methylpyridin-2-yl)-2,3-dihydro-1H-pyrazol-4-yl]-1,5-naphthyridine
485
485
Name:[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]- (3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDRO-PYRAN-2-YL)- ACETIC ACID
Formula:C17 H24 N2 O8
SMILES:O=C(O)C(NC(=O)C(N)Cc1ccc(O)cc1)C2OC(C(O)C(O)C2O)C
InChi:InChI=1S/C17H24N2O8/c1-7-12(21)13(22)14(23)15(27-7)11(17(25)26)19-16(24)10(18)6-8-2-4-9(20)5-3-8/h2-5,7,10-15,20-23H,6,18H2,1H3,(H,19,24)(H,25,26)/t7-,10+,11+,12+,13+,14-,15+/m1/s1
Synonyms:SB-284485
Definition date:2001-07-05
Last modified:2021-03-01
Identifier:3,7-anhydro-2,8-dideoxy-2-(L-tyrosylamino)-D-threo-L-galacto-octonic acid
48U
48U
Name:4-[(3S)-3-({[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxopyrrolidin-1-yl]-3-fluoro-N,N-dimethylbenzamide
Formula:C19 H19 Cl F N3 O4 S2
SMILES:Clc3sc(/C=C/S(=O)(=O)NC2C(=O)N(c1ccc(C(=O)N(C)C)cc1F)CC2)cc3
InChi:InChI=1S/C19H19ClFN3O4S2/c1-23(2)18(25)12-3-5-16(14(21)11-12)24-9-7-15(19(24)26)22-30(27,28)10-8-13-4-6-17(20)29-13/h3-6,8,10-11,15,22H,7,9H2,1-2H3/b10-8+/t15-/m0/s1
Synonyms:GTC000101
Definition date:2015-02-13
Last modified:2021-03-01
Release date:2015-09-30
Identifier:4-[(3S)-3-({[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxopyrrolidin-1-yl]-3-fluoro-N,N-dimethylbenzamide
492
492
Name:1-(2,2'-bithiophen-5-yl)methanamine
Formula:C9 H9 N S2
SMILES:s2c(c1sc(cc1)CN)ccc2
InChi:InChI=1S/C9H9NS2/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h1-5H,6,10H2
Synonyms:(5-thiophen-2-ylthiophen-2-yl)methylamine
Definition date:2009-01-20
Last modified:2021-03-01
Identifier:1-(2,2'-bithiophen-5-yl)methanamine
49X
49X
Name:(1R)-1,5-anhydro-1-{(1E,3S,4S,5R)-4,5-dihydroxy-3-[(8-phenyloctanoyl)amino]nonadec-1-en-1-yl}-D-galactitol
Formula:C39 H67 N O8
SMILES:O=C(NC(/C=C/C1OC(CO)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCc2ccccc2
InChi:InChI=1S/C39H67NO8/c1-2-3-4-5-6-7-8-9-10-11-14-20-25-32(42)36(44)31(27-28-33-37(45)39(47)38(46)34(29-41)48-33)40-35(43)26-21-15-12-13-17-22-30-23-18-16-19-24-30/h16,18-19,23-24,27-28,31-34,36-39,41-42,44-47H,2-15,17,20-22,25-26,29H2,1H3,(H,40,43)/b28-27+/t31-,32+,33+,34+,36-,37-,38-,39+/m0/s1
Synonyms:GCK152
Definition date:2015-02-18
Last modified:2021-03-01
Release date:2015-05-27
Identifier:(1R)-1,5-anhydro-1-{(1E,3S,4S,5R)-4,5-dihydroxy-3-[(8-phenyloctanoyl)amino]nonadec-1-en-1-yl}-D-galactitol
4AD
4AD
Name:4-AMINO-1,4-DIOXOBUTAN-2-AMINIUM ADENOSINE-5'-MONOPHOSPHATE
Formula:C14 H21 N7 O9 P
SMILES:O=C(N)CC(C(=O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)[NH3+]
InChi:InChI=1S/C14H20N7O9P/c15-5(1-7(16)22)14(25)30-31(26,27)28-2-6-9(23)10(24)13(29-6)21-4-20-8-11(17)18-3-19-12(8)21/h3-6,9-10,13,23-24H,1-2,15H2,(H2,16,22)(H,26,27)(H2,17,18,19)/p+1/t5-,6+,9+,10+,13+/m0/s1
Synonyms:ASNAMP
Definition date:2005-05-20
Last modified:2021-03-01
Identifier:5'-O-[(R)-{[(2S)-4-amino-2-ammonio-4-oxobutanoyl]oxy}(hydroxy)phosphoryl]adenosine
4AT
4AT
Name:5-OXOHEXANOIC ACID
Formula:C6 H10 O3
SMILES:O=C(C)CCCC(=O)O
InChi:InChI=1S/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9)
Synonyms:4-ACETYLBUTYRIC ACID
Definition date:2007-02-28
Last modified:2021-03-01
Identifier:5-oxohexanoic acid
P12
P12
Name:4-[AMINO(IMINO)METHYL]-1-[2-(3-AMMONIOPROPOXY)-5-METHOXYBENZYL]PIPERAZIN-1-IUM
Formula:C16 H29 N5 O2
SMILES:[N@H]=C(N)N2CC[NH+](Cc1cc(OC)ccc1OCCC[NH3+])CC2
InChi:InChI=1S/C16H27N5O2/c1-22-14-3-4-15(23-10-2-5-17)13(11-14)12-20-6-8-21(9-7-20)16(18)19/h3-4,11H,2,5-10,12,17H2,1H3,(H3,18,19)/p+2
Synonyms:RBT205 INHIBITOR
Definition date:2003-12-19
Last modified:2021-03-01
Identifier:1-[2-(3-ammoniopropoxy)-5-methoxybenzyl]-4-carbamimidoylpiperazin-1-ium
P16
P16
Name:6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE
Formula:C21 H16 Cl2 N4 O2
SMILES:Clc4cccc(Cl)c4C3=Cc1c(nc(nc1)Nc2cc(ccc2)CO)N(C3=O)C
InChi:InChI=1S/C21H16Cl2N4O2/c1-27-19-13(9-15(20(27)29)18-16(22)6-3-7-17(18)23)10-24-21(26-19)25-14-5-2-4-12(8-14)11-28/h2-10,28H,11H2,1H3,(H,24,25,26)
Synonyms:PD166326
Definition date:2003-03-18
Last modified:2021-03-01
Identifier:6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl]amino}-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one
P17
P17
Name:6-(2,6-DICHLORO-PHENYL)-8-METHYL-2-(3-METHYLSULFANYL-PHENYLAMINO)-8H-PYRIDO[2,3-D]PYRIMIDIN-7-ONE
Formula:C21 H16 Cl2 N4 O S
SMILES:Clc4cccc(Cl)c4C3=Cc1c(nc(nc1)Nc2cccc(SC)c2)N(C3=O)C
InChi:InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)
Synonyms:PD173955
Definition date:2002-07-31
Last modified:2021-03-01
Identifier:6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylsulfanyl)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one
4BQ
4BQ
Name:(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid
Formula:C18 H20 N2 O4
SMILES:O=C(O)C(N)CCC(=O)Nc2ccc(OCc1ccccc1)cc2
InChi:InChI=1S/C18H20N2O4/c19-16(18(22)23)10-11-17(21)20-14-6-8-15(9-7-14)24-12-13-4-2-1-3-5-13/h1-9,16H,10-12,19H2,(H,20,21)(H,22,23)/t16-/m0/s1
Synonyms:N-[4-(phenylmethoxy)phenyl]-L-glutamine
Definition date:2008-03-14
Last modified:2021-03-01
Identifier:N-[4-(benzyloxy)phenyl]-L-glutamine
4C0
4C0
Name:3-(1H-benzimidazol-2-yl)-N-(3-phenylpropanoyl)-D-alanine
Formula:C19 H19 N3 O3
SMILES:O=C(O)C(NC(=O)CCc1ccccc1)Cc3nc2ccccc2n3
InChi:InChI=1S/C19H19N3O3/c23-18(11-10-13-6-2-1-3-7-13)22-16(19(24)25)12-17-20-14-8-4-5-9-15(14)21-17/h1-9,16H,10-12H2,(H,20,21)(H,22,23)(H,24,25)/t16-/m1/s1
Synonyms:(R)-3-(1H-Benzoimidazol-2-yl)-2-(3-phenyl-propionylamino)-propionic acid
Definition date:2009-10-22
Last modified:2021-03-01
Identifier:3-(1H-benzimidazol-2-yl)-N-(3-phenylpropanoyl)-D-alanine
P1S
P1S
Name:(6AR,12AR)-3-(HYDROXYMETHYL)-6H-[1,3]DIOXOLO[5,6][1]BENZOFURO[3,2-C]CHROMEN-6A(12AH)-OL
Formula:C17 H14 O6
SMILES:O3c2cc1OCOc1cc2C4(O)C3c5ccc(cc5OC4)CO
InChi:InChI=1S/C17H14O6/c18-6-9-1-2-10-12(3-9)20-7-17(19)11-4-14-15(22-8-21-14)5-13(11)23-16(10)17/h1-5,16,18-19H,6-8H2/t16-,17+/m1/s1
Synonyms:PISATIN
Definition date:2005-04-28
Last modified:2021-03-01
Identifier:(6aR,12aR)-3-(hydroxymethyl)-6H-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromen-6a(12aH)-ol
P24
P24
Name:1-(AMINOETHYL)AMINO-4-AMINOBUTANE
Formula:C6 H17 N3
SMILES:NCCCCNCCN
InChi:InChI=1S/C6H17N3/c7-3-1-2-5-9-6-4-8/h9H,1-8H2
Synonyms:PA(24)
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:N-(2-aminoethyl)butane-1,4-diamine
P2E
P2E
Name:(Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid
Formula:C20 H32 O5
SMILES:O=C1CC(O)C(/C=C/C(O)CCCCC)C1CC=C/CCCC(=O)O
InChi:InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1
Synonyms:Prostaglandin E2
Definition date:2009-06-04
Last modified:2021-03-01
Release date:2014-07-23
Identifier:(5Z,11alpha,12alpha,13E,15S)-11,15-dihydroxy-9-oxoprosta-5,13-dien-1-oic acid
P2S
P2S
Name:(2S)-2-AMINO-4-[[(2R)-2-CARBOXYBUTYL](PHOSPHONO)SULFONIMIDOYL]BUTANOIC ACID
Formula:C9 H19 N2 O8 P S
SMILES:O=P(N=S(=O)(CC(C(=O)O)CC)CCC(C(=O)O)N)(O)O
InChi:InChI=1S/C9H19N2O8PS/c1-2-6(8(12)13)5-21(19,11-20(16,17)18)4-3-7(10)9(14)15/h6-7H,2-5,10H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)/t6-,7+,21-/m1/s1
Synonyms:N-PHOSPHORYL (2S)-2-AMINO-4-[(2S)-2-CARBOXYBUTYL-(R)-SULFONIMIDOYL]BUTANOIC ACID
Definition date:2004-02-13
Last modified:2021-03-01
Identifier:(2S)-2-amino-4-{S-[(2S)-2-carboxybutyl]-N-phosphonosulfonimidoyl}butanoic acid
P3P
P3P
Name:(2S)-2-AMINO-4-[METHYL(PHOSPHONOOXY)PHOSPHORYL]BUTANOIC ACID
Formula:C5 H13 N O7 P2
SMILES:O=P(OP(=O)(O)O)(CCC(C(=O)O)N)C
InChi:InChI=1S/C5H13NO7P2/c1-14(9,13-15(10,11)12)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H2,10,11,12)/t4-,14+/m0/s1
Synonyms:PHOSPHINOTHRICIN PHOSPHATE
Definition date:2005-09-27
Last modified:2021-03-01
Identifier:(2S)-2-amino-4-[(R)-methyl(phosphonooxy)phosphoryl]butanoic acid

245663

數據於2025-12-03公開中

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