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KR2
KR2
Name:(2R)-4-(2-BENZOYL-1,2-DIAZEPAN-1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE
Formula:C22 H24 F3 N3 O2
SMILES:O=C(N2N(C(=O)c1ccccc1)CCCCC2)CC(N)Cc3cc(F)c(F)cc3F
InChi:InChI=1S/C22H24F3N3O2/c23-18-14-20(25)19(24)12-16(18)11-17(26)13-21(29)27-9-5-2-6-10-28(27)22(30)15-7-3-1-4-8-15/h1,3-4,7-8,12,14,17H,2,5-6,9-11,13,26H2/t17-/m1/s1
Synonyms:(R)-3-AMINO-1-(2-BENZOYL-1,2-DIAZEPAN-1-YL)-4-(2,4,5-TRIFLUOROPHENYL)BUTAN-1-ONE
Definition date:2007-01-24
Last modified:2020-06-17
Identifier:(2R)-4-oxo-4-[2-(phenylcarbonyl)-1,2-diazepan-1-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine
MD7
MD7
Name:(2Z)-N-biphenyl-4-yl-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide
Formula:C19 H16 N2 O2
SMILES:O=C(C(C#N)=C(/O)C1CC1)Nc3ccc(c2ccccc2)cc3
InChi:InChI=1S/C19H16N2O2/c20-12-17(18(22)15-6-7-15)19(23)21-16-10-8-14(9-11-16)13-4-2-1-3-5-13/h1-5,8-11,15,22H,6-7H2,(H,21,23)/b18-17-
Synonyms:N-(Biphenyl-4-yl)-2-cyano-3-cyclopropyl-3-hydroxyacrylamide
Definition date:2009-02-02
Last modified:2020-06-17
Identifier:(2Z)-N-biphenyl-4-yl-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide
TBV
TBV
Name:3-[2-[[3-(2-CARBOXYETHYL)-5-[[3-ETHENYL-4-METHYL-5-[(2-METHYLPROPAN-2-YL)OXY]-1H-PYRROL-2-YL]METHYL]-4-METHYL-1H-PYRROL -2-YL]METHYL]-5-[(Z)-(4-ETHENYL-3-METHYL-5-OXO-PYRROL-2-YLIDENE)METHYL]-4-METHYL-1H-PYRROL-3-YL]PROPANOIC ACID
Formula:C37 H46 N4 O6
SMILES:Cc1c(Cc2[nH]c(OC(C)(C)C)c(C)c2C=C)[nH]c(Cc3[nH]c(C=C4NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)c1CCC(O)=O
InChi:InChI=1S/C37H46N4O6/c1-10-23-22(6)36(47-37(7,8)9)41-30(23)17-28-21(5)26(13-15-34(44)45)32(39-28)18-31-25(12-14-33(42)43)20(4)27(38-31)16-29-19(3)24(11-2)35(46)40-29/h10-11,16,38-39,41H,1-2,12-15,17-18H2,3-9H3,(H,40,46)(H,42,43)(H,44,45)/b29-16-
Synonyms:BILIVERDIN
Definition date:2009-03-19
Last modified:2020-06-17
Identifier:3-[2-[[3-(2-carboxyethyl)-5-[[3-ethenyl-4-methyl-5-[(2-methylpropan-2-yl)oxy]-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
B36
B36
Name:6-{[1-(anthracen-9-ylcarbonyl)piperidin-4-yl]methyl}-2-methylquinoline
Formula:C31 H28 N2 O
SMILES:O=C(c3c1ccccc1cc2ccccc23)N6CCC(Cc5cc4ccc(nc4cc5)C)CC6
InChi:InChI=1S/C31H28N2O/c1-21-10-12-26-19-23(11-13-29(26)32-21)18-22-14-16-33(17-15-22)31(34)30-27-8-4-2-6-24(27)20-25-7-3-5-9-28(25)30/h2-13,19-20,22H,14-18H2,1H3
Synonyms:Anthracen-9-yl-[4-(2-methyl-quinolin-6-ylmethyl)-piperidin-1-yl]-methanon
Definition date:2009-04-17
Last modified:2020-06-17
Identifier:6-{[1-(anthracen-9-ylcarbonyl)piperidin-4-yl]methyl}-2-methylquinoline
CAD
CAD
Name:CACODYLIC ACID
Formula:C2 H7 As O2
SMILES:O=[As](O)(C)C
InChi:InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)
Synonyms:HYDROXYDIMETHYLARSINE OXIDE
Definition date:1999-07-26
Last modified:2020-06-17
Identifier:dimethylarsinic acid
LZU
LZU
Name:10-{2-[(2S)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine
Formula:C21 H26 N2 S2
SMILES:S(c2cc1N(c3c(Sc1cc2)cccc3)CCC4N(C)CCCC4)C
InChi:InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3/t16-/m0/s1
Synonyms:Thioridazine
Definition date:2012-11-27
Last modified:2020-06-17
Release date:2013-08-28
Identifier:10-{2-[(2S)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine
TDU
TDU
Name:1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]urea
Formula:C15 H18 N4 O S
SMILES:O=C(NCCC1=CCCCC1)Nc2ccc3nnsc3c2
InChi:InChI=1S/C15H18N4OS/c20-15(16-9-8-11-4-2-1-3-5-11)17-12-6-7-13-14(10-12)21-19-18-13/h4,6-7,10H,1-3,5,8-9H2,(H2,16,17,20)
Synonyms:1-(benzo[d][1,2,3]thiadiazol-6-yl)-3-(2-cyclohexenylethyl)urea
Definition date:2011-07-07
Last modified:2020-06-17
Identifier:1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]urea
JZ3
JZ3
Name:Guaiacol
Formula:C7 H8 O2
SMILES:Oc1ccccc1OC
InChi:InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3
Synonyms:2-methoxyphenol
Definition date:2009-06-16
Last modified:2020-06-17
Identifier:2-methoxyphenol
TTL
TTL
Name:TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL
Formula:C10 H13 N O
SMILES:OC2c1ccccc1CCC2N
InChi:InChI=1S/C10H13NO/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-4,9-10,12H,5-6,11H2/t9-,10-/m0/s1
Synonyms:TRANS-(1S,2S)-1-HYDROXY-2-AMINO-1,2,3,4 TETRAHYDRONAPHTHALENE, TRANS-(1S,2S)-2-AMINO-1-TETRALOL
Definition date:2005-08-12
Last modified:2020-06-17
Identifier:(1S,2S)-2-amino-1,2,3,4-tetrahydronaphthalen-1-ol
JLS
JLS
Name:(15Z)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]tetracos-15-enamide
Formula:C48 H93 N O9
SMILES:O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCCCCCCCC=C/CCCCCCCC
InChi:InChI=1S/C48H93NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-43(52)49-40(39-57-48-47(56)46(55)45(54)42(38-50)58-48)44(53)41(51)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h17-18,40-42,44-48,50-51,53-56H,3-16,19-39H2,1-2H3,(H,49,52)/b18-17-/t40-,41+,42+,44-,45-,46-,47+,48-/m0/s1
Synonyms:PBS-44
Definition date:2013-08-01
Last modified:2020-06-17
Release date:2013-10-02
Identifier:(15Z)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]tetracos-15-enamide
MXD
MXD
Name:6-PIPERIDIN-1-YLPYRIMIDINE-2,4-DIAMINE 3-OXIDE
Formula:C9 H15 N5 O
SMILES:[O-][n+]1c(nc(cc1N)N2CCCCC2)N
InChi:InChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6H,1-5,10H2,(H2,11,12)
Synonyms:MINOXIDIL
Definition date:2005-11-11
Last modified:2020-06-17
Identifier:6-piperidin-1-ylpyrimidine-2,4-diamine 3-oxide
MXM
MXM
Name:4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide
Formula:C14 H13 N3 O4 S2
SMILES:O=C(Nc1ncc(s1)C)C3=C(O)c2ccccc2S(=O)(=O)N3C
InChi:InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19)
Synonyms:Meloxicam
Definition date:2013-08-09
Last modified:2020-06-17
Release date:2014-01-22
Identifier:4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide
NQ
NQ
Name:2-HYDROXYNAPHTHOQUINONE
Formula:C10 H6 O3
SMILES:O=C2c1c(cccc1)C(=O)C(O)=C2
InChi:InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,12H
Synonyms:2-HYDROXY-1,4-NAPHTHOQUINONE
Definition date:2005-08-03
Last modified:2020-06-17
Identifier:2-hydroxynaphthalene-1,4-dione
CDX
CDX
Name:(S)-4,4'-(1-METHYL-1,2-ETHANEDIYL)BIS-2,6-PIPERAZINEDIONE
Formula:C11 H16 N4 O4
SMILES:O=C2NC(=O)CN(CC(N1CC(=O)NC(=O)C1)C)C2
InChi:InChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)/t7-/m1/s1
Synonyms:ICRF-187
Definition date:2003-07-25
Last modified:2020-06-17
Identifier:4,4'-(2R)-propane-1,2-diyldipiperazine-2,6-dione
PFN
PFN
Name:FENOPROFEN
Formula:C15 H14 O3
SMILES:O=C(O)C(c2cc(Oc1ccccc1)ccc2)C
InChi:InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)/t11-/m1/s1
Synonyms:(2R)-2-(3-PHENOXYPHENYL)PROPANOIC ACID
Definition date:2010-02-26
Last modified:2020-06-17
Identifier:(2R)-2-(3-phenoxyphenyl)propanoic acid
Q86
Q86
Name:4-phenyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one
Formula:C12 H13 N3 O
SMILES:O=C(CCc1ccccc1)Cn2ncnc2
InChi:InChI=1S/C12H13N3O/c16-12(8-15-10-13-9-14-15)7-6-11-4-2-1-3-5-11/h1-5,9-10H,6-8H2
Synonyms:4-Phenyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone
Definition date:2009-10-06
Last modified:2020-06-17
Identifier:4-phenyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one
MYI
MYI
Name:(5-methoxy-1H-indol-3-yl)acetic acid
Formula:C11 H11 N O3
SMILES:COc1ccc2[nH]cc(CC(O)=O)c2c1
InChi:InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14)
Synonyms:5-methoxy-indole acetate
Definition date:2010-02-08
Last modified:2020-06-17
Identifier:2-(5-methoxy-1H-indol-3-yl)ethanoic acid
KZ9
KZ9
Name:(S)-4-(3-HYDROXYPHENYL)-2-THIOXO-1,2,3,4,7,8-HEXAHYDROQUINAZOLIN-5(6H)-ONE
Formula:C14 H14 N2 O2 S
SMILES:O=C3C1=C(NC(=S)NC1c2cccc(O)c2)CCC3
InChi:InChI=1S/C14H14N2O2S/c17-9-4-1-3-8(7-9)13-12-10(15-14(19)16-13)5-2-6-11(12)18/h1,3-4,7,13,17H,2,5-6H2,(H2,15,16,19)/t13-/m0/s1
Synonyms:(4S)-4-(3-hydroxyphenyl)-2-thioxo-2,3,4,6,7,8-hexahydroquinazolin-5(1H)-one
Definition date:2010-02-26
Last modified:2020-06-17
Identifier:(4S)-4-(3-hydroxyphenyl)-2-thioxo-2,3,4,6,7,8-hexahydroquinazolin-5(1H)-one
QPP
QPP
Name:N-(5-METHYL-1H-PYRAZOL-3-YL)-2-PHENYLQUINAZOLIN-4-AMINE
Formula:C18 H15 N5
SMILES:n2c(Nc1nnc(c1)C)c4ccccc4nc2c3ccccc3
InChi:InChI=1S/C18H15N5/c1-12-11-16(23-22-12)20-18-14-9-5-6-10-15(14)19-17(21-18)13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20,21,22,23)
Synonyms:5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE
Definition date:2006-12-19
Last modified:2020-06-17
Identifier:N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
NTE
NTE
Name:[3,3'-{7-ethenyl-3,8,13,17-tetramethyl-12-[(E)-2-nitroethenyl]porphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~}dipro panoato(2-)]iron
Formula:C34 H31 Fe N5 O6
SMILES:N45[Fe]26n1c8c(c(c1C=C3N2=C(C(=C3C)C=C[N+]([O-])=O)C=C4C(=C(C5=CC7=N6C(C(=C7C)CCC(=O)O)=C8)C=C)C)C)CCC(O)=O
InChi:InChI=1S/C34H33N5O6.Fe/c1-6-21-17(2)27-15-30-24(11-12-39(44)45)20(5)26(36-30)13-25-18(3)22(7-9-33(40)41)31(37-25)16-32-23(8-10-34(42)43)19(4)28(38-32)14-29(21)35-27
Synonyms:Nitriheme
Definition date:2011-03-02
Last modified:2020-06-17
Identifier:{3,3'-[7-ethenyl-3,8,13,17-tetramethyl-12-(2-nitroethenyl)porphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(2-)}iron
PIZ
PIZ
Name:(2S)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dihexadecanoate
Formula:C41 H82 O22 P4
SMILES:O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)CCCCCCCCCCCCCCC
InChi:InChI=1S/C41H82O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)57-31-33(59-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-58-67(55,56)63-38-36(44)39(60-64(46,47)48)41(62-66(52,53)54)40(37(38)45)61-65(49,50)51/h33,36-41,44-45H,3-32H2,1-2H3,(H,55,56)(H2,46,47,48)(H2,49,50,51)(H2,52,53,54)/t33-,36-,37-,38-,39+,40-,41-/m0/s1
Synonyms:PI(3,4,5)P3 dipalmitoyl (16:0, 16:0)
Definition date:2014-06-11
Last modified:2020-06-17
Release date:2014-07-30
Identifier:(2S)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane-1,2-diyl dihexadecanoate
CH9
CH9
Name:2-HYDROXYBIPHENYL
Formula:C12 H10 O
SMILES:Oc2ccccc2c1ccccc1
InChi:InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H
Synonyms:1,1'-BIPHENYL-2-OL
Definition date:2005-09-16
Last modified:2020-06-17
Release date:2015-08-19
Identifier:biphenyl-2-ol
BC4
BC4
Name:(3aS,4S,6aR)-4-(hex-5-yn-1-yl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one
Formula:C11 H16 N2 O S
SMILES:O=C1NC2C(SCC2N1)CCCCC#C
InChi:InChI=1S/C11H16N2OS/c1-2-3-4-5-6-9-10-8(7-15-9)12-11(14)13-10/h1,8-10H,3-7H2,(H2,12,13,14)/t8-,9-,10-/m0/s1
Synonyms:biotin acetylene
Definition date:2013-10-17
Last modified:2020-06-17
Release date:2013-10-30
Identifier:(3aS,4S,6aR)-4-(hex-5-yn-1-yl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one
BFZ
BFZ
Name:7-BROMO-1-[2-(DIETHYLAMINO)ETHYL]-5-(2-FLUOROPHENYL)-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE
Formula:C21 H23 Br F N3 O
SMILES:Fc3ccccc3C2=NCC(=O)N(c1c2cc(Br)cc1)CCN(CC)CC
InChi:InChI=1S/C21H23BrFN3O/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23/h5-10,13H,3-4,11-12,14H2,1-2H3
Synonyms:BROMOFLURAZEPAM
Definition date:2011-11-24
Last modified:2020-06-17
Release date:2012-10-12
Identifier:7-bromo-1-[2-(diethylamino)ethyl]-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
BI1
BI1
Name:3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE
Formula:C25 H24 N4 O2
SMILES:O=C5C(c2c1ccccc1nc2)=C(c4c3ccccc3n(c4)CCCN(C)C)C(=O)N5
InChi:InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31)
Synonyms:RBT205 INHIBITOR
Definition date:2003-12-16
Last modified:2020-06-17
Identifier:3-{1-[3-(dimethylamino)propyl]-1H-indol-3-yl}-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione

226262

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