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EWH
EWH
Name:~{N}-[2-[[5-chloranyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
Formula:C24 H26 Cl N7 O
SMILES:CN1CCN(CC1)c2ccc(Nc3ncc(Cl)c(Nc4ccccc4NC(=O)C=C)n3)cc2
InChi:InChI=1S/C24H26ClN7O/c1-3-22(33)28-20-6-4-5-7-21(20)29-23-19(25)16-26-24(30-23)27-17-8-10-18(11-9-17)32-14-12-31(2)13-15-32/h3-11,16H,1,12-15H2,2H3,(H,28,33)(H2,26,27,29,30)
Synonyms:SM1-71
Definition date:2018-04-27
Last modified:2021-03-01
Release date:2019-02-27
Identifier:~{N}-[2-[[5-chloranyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
F0E
F0E
Name:cyclooctyl ~{N}-[3-[[4-[5-[[(3~{R})-1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidin-3-yl]carbonylamino]-1~{H}-indazol-3-yl]pyridin-2-yl]carbonylamino]propyl]carbamate
Formula:C46 H55 N11 O5
SMILES:O=C(NCCCNC(=O)c1cc(ccn1)c2n[nH]c3ccc(NC(=O)[CH]4CCN(C4)CC(=O)N5CCN(CC5)c6ccc(cc6)c7ncccn7)cc23)OC8CCCCCCC8
InChi:InChI=1S/C46H55N11O5/c58-41(57-26-24-56(25-27-57)36-13-10-32(11-14-36)43-48-18-6-19-49-43)31-55-23-17-34(30-55)44(59)52-35-12-15-39-38(29-35)42(54-53-39)33-16-22-47-40(28-33)45(60)50-20-7-21-51-46(61)62-37-8-4-2-1-3-5-9-37/h6,10-16,18-19,22,28-29,34,37H,1-5,7-9,17,20-21,23-27,30-31H2,(H,50,60)(H,51,61)(H,52,59)(H,53,54)/t34-/m1/s1
Synonyms:HYDROXYETHYLAMINE BACE INHIBITOR
Definition date:2018-05-16
Last modified:2021-03-01
Release date:2019-01-02
Identifier:cyclooctyl ~{N}-[3-[[4-[5-[[(3~{R})-1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidin-3-yl]carbonylamino]-1~{H}-indazol-3-yl]pyridin-2-yl]carbonylamino]propyl]carbamate
F17
F17
Name:N-{[4-(1,1-DIOXIDO-3-OXO-2,3-DIHYDROISOTHIAZOL-5-YL)PHENYL]ACETYL}-L-PHENYLALANYL-4-(1,1-DIOXIDO-3-OXO-2,3-DIHYDROISOTHIAZOL-5-YL)-L-PHENYLALANINAMIDE
Formula:C32 H29 N5 O9 S2
SMILES:O=C5C=C(c1ccc(cc1)CC(=O)NC(C(=O)NC(C(=O)N)Cc3ccc(C2=CC(=O)NS2(=O)=O)cc3)Cc4ccccc4)S(=O)(=O)N5
InChi:InChI=1S/C32H29N5O9S2/c33-31(41)24(14-20-6-10-22(11-7-20)26-17-29(39)36-47(26,43)44)35-32(42)25(15-19-4-2-1-3-5-19)34-28(38)16-21-8-12-23(13-9-21)27-18-30(40)37-48(27,45)46/h1-13,17-18,24-25H,14-16H2,(H2,33,41)(H,34,38)(H,35,42)(H,36,39)(H,37,40)/t24-,25-/m0/s1
Synonyms:ISOTHIAZOLIDANONE ANALOGUE
Definition date:2006-05-04
Last modified:2021-03-01
Identifier:N-{[4-(1,1-dioxido-3-oxo-2,3-dihydroisothiazol-5-yl)phenyl]acetyl}-L-phenylalanyl-4-(1,1-dioxido-3-oxo-2,3-dihydroisothiazol-5-yl)-L-phenylalaninamide
F18
F18
Name:4-[(E)-(3,5-DIAMINO-1H-PYRAZOL-4-YL)DIAZENYL]PHENOL
Formula:C9 H10 N6 O
SMILES:N(=Nc1c(nnc1N)N)c2ccc(O)cc2
InChi:InChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-1-3-6(16)4-2-5/h1-4,16H,(H5,10,11,14,15)/b13-12-
Synonyms:CAN508
Definition date:2006-05-02
Last modified:2021-03-01
Identifier:4-[(Z)-(3,5-diamino-1H-pyrazol-4-yl)diazenyl]phenol
F1H
F1H
Name:N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide
Formula:C16 H24 N2 O S
SMILES:O=C(NC2CCN(Cc1ccccc1)CC2)CCCS
InChi:InChI=1S/C16H24N2OS/c19-16(7-4-12-20)17-15-8-10-18(11-9-15)13-14-5-2-1-3-6-14/h1-3,5-6,15,20H,4,7-13H2,(H,17,19)
Synonyms:N-(1-benzyl-piperidin-4-yl)-4-mercapto-butyramide
Definition date:2008-03-10
Last modified:2021-03-01
Identifier:N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide
F1K
F1K
Name:(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-2-carboxamide
Formula:C15 H22 F N3 O S
SMILES:Fc1ccc(cc1)CN2CC(NCC2)C(=O)NCCCS
InChi:InChI=1S/C15H22FN3OS/c16-13-4-2-12(3-5-13)10-19-8-7-17-14(11-19)15(20)18-6-1-9-21/h2-5,14,17,21H,1,6-11H2,(H,18,20)/t14-/m0/s1
Synonyms:4-(4-fluoro-benzyl)-piperazine-2-carboxylic acid(3-mercapto-propyl)-amide
Definition date:2008-03-25
Last modified:2021-03-01
Identifier:(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-2-carboxamide
F20
F20
Name:N-BENZOYL-L-PHENYLALANYL-4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]-L-PHENYLALANINAMIDE
Formula:C28 H28 N4 O6 S
SMILES:O=C4NS(=O)(=O)C(c1ccc(cc1)CC(C(=O)N)NC(=O)C(NC(=O)c2ccccc2)Cc3ccccc3)C4
InChi:InChI=1S/C28H28N4O6S/c29-26(34)22(15-19-11-13-20(14-12-19)24-17-25(33)32-39(24,37)38)30-28(36)23(16-18-7-3-1-4-8-18)31-27(35)21-9-5-2-6-10-21/h1-14,22-24H,15-17H2,(H2,29,34)(H,30,36)(H,31,35)(H,32,33)/t22-,23-,24-/m0/s1
Synonyms:ISOTHIAZOLIDINONE ANALOG
Definition date:2006-05-04
Last modified:2021-03-01
Identifier:N-(phenylcarbonyl)-L-phenylalanyl-4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]-L-phenylalaninamide
F29
F29
Name:1-ALLYL-5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE
Formula:C21 H17 N7
SMILES:n1nc5c(cc1c3c4ccccn4nc3c2ccccc2)c(nn5CC=C)N
InChi:InChI=1S/C21H17N7/c1-2-11-28-21-15(20(22)26-28)13-16(23-24-21)18-17-10-6-7-12-27(17)25-19(18)14-8-4-3-5-9-14/h2-10,12-13H,1,11H2,(H2,22,26)
Synonyms:FR296110
Definition date:2005-03-11
Last modified:2021-03-01
Identifier:5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1-prop-2-en-1-yl-1H-pyrazolo[3,4-c]pyridazin-3-amine
F2N
F2N
Name:[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL (2R,3S,4S)-5-[7,8-DIMETHYL-2,4-DIOXO-5-(3-PHENYLPROPANOYL)-1,3,4,5-TETRAHYDROBENZO[G]PTERIDIN-10(2H)-YL]-2,3,4-TRIHYDROXYPENTYL DIHYDROGEN DIPHOSPHATE
Formula:C36 H43 N9 O16 P2
SMILES:O=C(N2c1cc(c(cc1N(C3=C2C(=O)NC(=O)N3)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C)CCc7ccccc7
InChi:InChI=1S/C36H43N9O16P2/c1-17-10-20-21(11-18(17)2)45(25(48)9-8-19-6-4-3-5-7-19)27-33(41-36(53)42-34(27)52)43(20)12-22(46)28(49)23(47)13-58-62(54,55)61-63(56,57)59-14-24-29(50)30(51)35(60-24)44-16-40-26-31(37)38-15-39-32(26)44/h3-7,10-11,15-16,22-24,28-30,35,46-47,49-51H,8-9,12-14H2,1-2H3,(H,54,55)(H,56,57)(H2,37,38,39)(H2,41,42,52,53)/t22-,23+,24+,28-,29+,30+,35+/m0/s1
Synonyms:1-HYDRO-5-(3-PHENYLPROPANOYL)-FLAVIN-ADENINE DINUCLEOTIDE
Definition date:2007-06-07
Last modified:2021-03-01
Identifier:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[7,8-dimethyl-2,4-dioxo-5-(3-phenylpropanoyl)-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)
F5M
F5M
Name:5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
Formula:C24 H13 N O7
SMILES:O=C1C=CC(=O)N1c5ccc(C=2c4c(OC=3C=2C=CC(=O)C=3)cc(O)cc4)c(C(=O)O)c5
InChi:InChI=1S/C24H13NO7/c26-13-2-5-16-19(10-13)32-20-11-14(27)3-6-17(20)23(16)15-4-1-12(9-18(15)24(30)31)25-21(28)7-8-22(25)29/h1-11,26H,(H,30,31)
Synonyms:fluorescein-5-maleimide
Definition date:2010-04-13
Last modified:2021-03-01
Identifier:5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
F5R
F5R
Name:4-bromanylbenzenecarboximidamide
Formula:C7 H7 Br N2
SMILES:NC(=N)c1ccc(Br)cc1
InChi:InChI=1S/C7H7BrN2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H3,9,10)
Synonyms:4-Bromobenzamidine
Definition date:2020-04-01
Last modified:2021-03-01
Release date:2020-08-26
Identifier:4-bromanylbenzenecarboximidamide
F5U
F5U
Name:2-(5-methoxy-1H-indol-3-yl)ethanamine
Formula:C11 H14 N2 O
SMILES:COc1ccc2[nH]cc(CCN)c2c1
InChi:InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
Synonyms:5-Methoxytryptamine
Definition date:2020-04-01
Last modified:2021-03-01
Release date:2020-08-26
Identifier:2-(5-methoxy-1~{H}-indol-3-yl)ethanamine
F5X
F5X
Name:2-(6-methoxy-1H-indol-3-yl)ethanamine
Formula:C11 H14 N2 O
SMILES:COc1ccc2c(CCN)c[nH]c2c1
InChi:InChI=1S/C11H14N2O/c1-14-9-2-3-10-8(4-5-12)7-13-11(10)6-9/h2-3,6-7,13H,4-5,12H2,1H3
Synonyms:6-Methoxytryptamine
Definition date:2020-04-01
Last modified:2021-03-01
Release date:2020-08-26
Identifier:2-(6-methoxy-1~{H}-indol-3-yl)ethanamine
F8M
F8M
Name:2-amino-7-[3-(dimethylamino)propyl]-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid
Formula:C18 H19 N3 O4
SMILES:CN(C)CCCc3ccc1c(C(c2c(O1)nc(c(c2)C(O)=O)N)=O)c3
InChi:InChI=1S/C18H19N3O4/c1-21(2)7-3-4-10-5-6-14-11(8-10)15(22)12-9-13(18(23)24)16(19)20-17(12)25-14/h5-6,8-9H,3-4,7H2,1-2H3,(H2,19,20)(H,23,24)
Synonyms:7-[3-(dimethylamino)propyl] Analog of Amlexanox
Definition date:2018-03-15
Last modified:2021-03-01
Release date:2018-12-05
Identifier:2-amino-7-[3-(dimethylamino)propyl]-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid
FAC
FAC
Name:1,1,1,3,3,3-HEXAFLUOROPROPANEDIOL
Formula:C3 H2 F6 O2
SMILES:FC(F)(F)C(O)(O)C(F)(F)F
InChi:InChI=1S/C3H2F6O2/c4-2(5,6)1(10,11)3(7,8)9/h10-11H
Synonyms:HEXAFLUOROACETONE HYDRATE
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:1,1,1,3,3,3-hexafluoropropane-2,2-diol
FBD
FBD
Name:N-({(1R)-1-carboxy-2-[(4-fluorobenzyl)sulfanyl]ethyl}carbamoyl)-L-glutamic acid
Formula:C16 H19 F N2 O7 S
SMILES:Fc1ccc(cc1)CSCC(C(=O)O)NC(=O)NC(C(=O)O)CCC(=O)O
InChi:InChI=1S/C16H19FN2O7S/c17-10-3-1-9(2-4-10)7-27-8-12(15(24)25)19-16(26)18-11(14(22)23)5-6-13(20)21/h1-4,11-12H,5-8H2,(H,20,21)(H,22,23)(H,24,25)(H2,18,19,26)/t11-,12-/m0/s1
Synonyms:(S)-2-(3-((R)-1-carboxy-2-(4-fluorobenzylthio)ethyl)ureido)pentanedioic acid
Definition date:2008-06-05
Last modified:2021-03-01
Identifier:N-({(1R)-1-carboxy-2-[(4-fluorobenzyl)sulfanyl]ethyl}carbamoyl)-L-glutamic acid
FBJ
FBJ
Name:N-hydroxycyclopent-1-ene-1-carboxamide
Formula:C6 H9 N O2
SMILES:C(=O)(C1=CCCC1)NO
InChi:InChI=1S/C6H9NO2/c8-6(7-9)5-3-1-2-4-5/h3,9H,1-2,4H2,(H,7,8)
Synonyms:cyclopentenylhydroxamate
Definition date:2018-03-22
Last modified:2021-03-01
Release date:2018-05-30
Identifier:N-hydroxycyclopent-1-ene-1-carboxamide
FCC
FCC
Name:1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one
Formula:C26 H21 N3 O
SMILES:O=C1N(c2ccccc2)c3ccccc3C1(Cc4ccncc4)Cc5ccncc5
InChi:InChI=1S/C26H21N3O/c30-25-26(18-20-10-14-27-15-11-20,19-21-12-16-28-17-13-21)23-8-4-5-9-24(23)29(25)22-6-2-1-3-7-22/h1-17H,18-19H2
Synonyms:Linopirdine
Definition date:2020-04-27
Last modified:2021-03-01
Release date:2020-12-02
Identifier:1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one
FDU
FDU
Name:1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1H,3H)-dione
Formula:C11 H11 F N2 O5
SMILES:O=C1NC(=O)N(C=C1C#C)C2OC(C(O)C2F)CO
InChi:InChI=1S/C11H11FN2O5/c1-2-5-3-14(11(18)13-9(5)17)10-7(12)8(16)6(4-15)19-10/h1,3,6-8,10,15-16H,4H2,(H,13,17,18)/t6-,7+,8-,10-/m1/s1
Synonyms:(2'S)-2'-DEOXY-2'-FLUORO-5-ETHYNYLURIDINE
Definition date:2014-02-12
Last modified:2021-03-01
Release date:2014-08-13
Identifier:1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1H,3H)-dione
FFT
FFT
Name:(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate
Formula:C15 H27 O4 P
SMILES:O=P(OCC=C(/CC/C=C(/C)CCC=C(/C)C)C)(O)O
InChi:InChI=1S/C15H27O4P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19-20(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H2,16,17,18)/b14-9-,15-11-
Synonyms:farnesyl monophosphate
Definition date:2011-11-03
Last modified:2021-03-01
Identifier:(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate
FGT
FGT
Name:3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one
Formula:C20 H14 O4
SMILES:Oc1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc(O)cc4
InChi:InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H
Synonyms:phenolphthalein
Definition date:2018-06-30
Last modified:2021-03-01
Release date:2019-06-05
Identifier:3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one
FHC
FHC
Name:2-FLUORO-3-(4-HYDROXYPHENYL)-2E-PROPENEOATE
Formula:C9 H6 F O3
SMILES:[O-]C(=O)C(/F)=Cc1ccc(O)cc1
InChi:InChI=1S/C9H7FO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-5,11H,(H,12,13)/p-1/b8-5+
Synonyms:(E)-2-FLUORO-P-HYDROXYCINNAMATE
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:(2E)-2-fluoro-3-(4-hydroxyphenyl)prop-2-enoate
FIH
FIH
Name:5-(4-FLUOROPHENYL)-3-{[(4-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-2-CARBOXYLIC ACID
Formula:C18 H14 F N O4 S2
SMILES:O=C(O)c2sc(cc2NS(=O)(=O)c1ccc(cc1)C)c3ccc(F)cc3
InChi:InChI=1S/C18H14FNO4S2/c1-11-2-8-14(9-3-11)26(23,24)20-15-10-16(25-17(15)18(21)22)12-4-6-13(19)7-5-12/h2-10,20H,1H3,(H,21,22)
Synonyms:5-(4-FLUOROPHENYL)-3-(TOSYLAMINO)THIOPHENE-2-CARBOXYLIC ACI
Definition date:2005-10-06
Last modified:2021-03-01
Identifier:5-(4-fluorophenyl)-3-{[(4-methylphenyl)sulfonyl]amino}thiophene-2-carboxylic acid
FIR
FIR
Name:(2R,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE
Formula:C12 H10 F N3 O4
SMILES:Fc3ccc2OC(C(=O)N)CC1(C(=O)NC(=O)N1)c2c3
InChi:InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12+/m1/s1
Synonyms:FIDARESTAT(STEREOISOMER)
Definition date:2004-08-24
Last modified:2021-03-01
Identifier:(2R,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[chromene-4,4'-imidazolidine]-2-carboxamide
FIS
FIS
Name:(2S,4R)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE
Formula:C12 H10 F N3 O4
SMILES:Fc3ccc2OC(C(=O)N)CC1(C(=O)NC(=O)N1)c2c3
InChi:InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12+/m0/s1
Synonyms:FIDARESTAT(STEREOISOMER)
Definition date:2004-08-24
Last modified:2021-03-01
Identifier:(2S,4R)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[chromene-4,4'-imidazolidine]-2-carboxamide

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