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38S

38S
Name:	1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
Formula:	C10 H14 N2 O4
SMILES:	O=C1NC(=O)N(C=C1C)C2OC(CC2)CO
InChi:	InChI=1S/C10H14N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h4,7-8,13H,2-3,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1
Synonyms:	3'-deoxy thymidine
Definition date:	2014-07-08
Last modified:	2020-06-17
Release date:	2014-07-23
Identifier:	1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione

3N6

3N6
Name:	N-{(1S)-5-amino-1-[(4-pyridin-4-ylpiperazin-1-yl)carbonyl]pentyl}-3,5-dibromo-Nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3 (2H)-yl)piperidin-1-yl]carbonyl}-D-tyrosinamide
Formula:	C38 H47 Br2 N9 O5
SMILES:	O=C(N2CCN(c1ccncc1)CC2)C(NC(=O)C(NC(=O)N5CCC(N4C(=O)Nc3c(cccc3)C4)CC5)Cc6cc(Br)c(O)c(Br)c6)CCCCN
InChi:	InChI=1S/C38H47Br2N9O5/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53)/t32-,33+/m0/s1
Synonyms:	Olcegepant
Definition date:	2010-06-07
Last modified:	2020-06-17
Identifier:	N-{(2S)-6-amino-1-oxo-1-[4-(pyridin-4-yl)piperazin-1-yl]hexan-2-yl}-3,5-dibromo-Nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3(2H)-yl)piperidin-1-yl]carbonyl}-D-tyrosinamide

FR2

FR2
Name:	1-((1R)-1-(HYDROXYMETHYL)-3-PHENYLPROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE
Formula:	C14 H17 N3 O2
SMILES:	O=C(c1ncn(c1)C(CO)CCc2ccccc2)N
InChi:	InChI=1S/C14H17N3O2/c15-14(19)13-8-17(10-16-13)12(9-18)7-6-11-4-2-1-3-5-11/h1-5,8,10,12,18H,6-7,9H2,(H2,15,19)/t12-/m1/s1
Synonyms:	FR221647
Definition date:	2002-12-13
Last modified:	2020-06-17
Identifier:	1-[(1R)-1-(hydroxymethyl)-3-phenylpropyl]-1H-imidazole-4-carboxamide

FR3

FR3
Name:	1-((1R)-1-(HYDROXYMETHYL)-3-(1-NAPHTHYL)PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE
Formula:	C18 H19 N3 O2
SMILES:	O=C(c1ncn(c1)C(CO)CCc3c2ccccc2ccc3)N
InChi:	InChI=1S/C18H19N3O2/c19-18(23)17-10-21(12-20-17)15(11-22)9-8-14-6-3-5-13-4-1-2-7-16(13)14/h1-7,10,12,15,22H,8-9,11H2,(H2,19,23)/t15-/m1/s1
Synonyms:	FR230513
Definition date:	2002-12-13
Last modified:	2020-06-17
Identifier:	1-[(1R)-1-(hydroxymethyl)-3-naphthalen-1-ylpropyl]-1H-imidazole-4-carboxamide

FR7

FR7
Name:	1-{(1R,2S)-1-[2-(2,3,-DICHLOROPHENYL)ETHYL]-2-HYDROXYPROPYL}-1H-IMIDAZOLE-4-CARBOXAMIDE
Formula:	C15 H17 Cl2 N3 O2
SMILES:	Clc1cccc(c1Cl)CCC(n2cc(nc2)C(=O)N)C(O)C
InChi:	InChI=1S/C15H17Cl2N3O2/c1-9(21)13(20-7-12(15(18)22)19-8-20)6-5-10-3-2-4-11(16)14(10)17/h2-4,7-9,13,21H,5-6H2,1H3,(H2,18,22)/t9-,13+/m0/s1
Synonyms:	FR239087
Definition date:	2003-12-16
Last modified:	2020-06-17
Identifier:	1-{(1R,2S)-1-[2-(2,3-dichlorophenyl)ethyl]-2-hydroxypropyl}-1H-imidazole-4-carboxamide

FR9

FR9
Name:	1-[(1R)-3-(6-{[(BENZYLAMINO)CARBONYL]AMINO}-1H-INDOL-1-YL)-1-(HYDROXYMETHYL)PROPYL]-1H-IMIDAZOLE-4-CARBOXAMIDE
Formula:	C24 H26 N6 O3
SMILES:	O=C(N)c1ncn(c1)C(CO)CCn3c2cc(ccc2cc3)NC(=O)NCc4ccccc4
InChi:	InChI=1S/C24H26N6O3/c25-23(32)21-14-30(16-27-21)20(15-31)9-11-29-10-8-18-6-7-19(12-22(18)29)28-24(33)26-13-17-4-2-1-3-5-17/h1-8,10,12,14,16,20,31H,9,11,13,15H2,(H2,25,32)(H2,26,28,33)/t20-/m1/s1
Synonyms:	FR236913
Definition date:	2003-10-05
Last modified:	2020-06-17
Identifier:	1-[(1R)-3-{6-[(benzylcarbamoyl)amino]-1H-indol-1-yl}-1-(hydroxymethyl)propyl]-1H-imidazole-4-carboxamide

FRB

FRB
Name:	2-CYCLOHEXYL-N-(2-{4-[5-(2,3-DICHLORO-PHENYL)-2H-PYRAZOL-3-YL]-PIPERIDIN-1-YL}-2-OXO-ETHYL)-2-GUANIDINO-ACETAMIDE
Formula:	C25 H33 Cl2 N7 O2
SMILES:	O=C(NCC(=O)N3CCC(c1cc(nn1)c2cccc(Cl)c2Cl)CC3)C(NC(=[N@H])N)C4CCCCC4
InChi:	InChI=1S/C25H33Cl2N7O2/c26-18-8-4-7-17(22(18)27)20-13-19(32-33-20)15-9-11-34(12-10-15)21(35)14-30-24(36)23(31-25(28)29)16-5-2-1-3-6-16/h4,7-8,13,15-16,23H,1-3,5-6,9-12,14H2,(H,30,36)(H,32,33)(H4,28,29,31)/t23-/m1/s1
Synonyms:	SP2456
Definition date:	2003-07-17
Last modified:	2020-06-17
Identifier:	(2R)-2-carbamimidamido-2-cyclohexyl-N-(2-{4-[3-(2,3-dichlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl}-2-oxoethyl)ethanamide

FRI

FRI
Name:	2-GUANIDINO-4-METHYL-PENTANOIC ACID [2-(4-{5-[4-(4-ACETYLAMINO-BENZYLOXY)-2,3-DICHLORO-PHENYL]-2-METHYL-2H-PYRAZOL-3-YL}-PIPERIDIN-1-YL)-2-OXO-ETHYL]-AMIDE
Formula:	C33 H42 Cl2 N8 O4
SMILES:	O=C(Nc1ccc(cc1)COc4ccc(c2nn(c(c2)C3CCN(C(=O)CNC(=O)C(NC(=[N@H])N)CC(C)C)CC3)C)c(Cl)c4Cl)C
InChi:	InChI=1S/C33H42Cl2N8O4/c1-19(2)15-26(40-33(36)37)32(46)38-17-29(45)43-13-11-22(12-14-43)27-16-25(41-42(27)4)24-9-10-28(31(35)30(24)34)47-18-21-5-7-23(8-6-21)39-20(3)44/h5-10,16,19,22,26H,11-15,17-18H2,1-4H3,(H,38,46)(H,39,44)(H4,36,37,40)/t26-/m1/s1
Synonyms:	SP4160
Definition date:	2003-09-05
Last modified:	2020-06-17
Identifier:	N-(2-{4-[3-(4-{[4-(acetylamino)benzyl]oxy}-2,3-dichlorophenyl)-1-methyl-1H-pyrazol-5-yl]piperidin-1-yl}-2-oxoethyl)-N~2~-carbamimidoyl-D-leucinamide

3NU

3NU
Name:	4-[3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine
Formula:	C16 H24 N6
SMILES:	n2c(c1cnnc1C(C)C)ccnc2NC3CCN(C)CC3
InChi:	InChI=1S/C16H24N6/c1-11(2)15-13(10-18-21-15)14-4-7-17-16(20-14)19-12-5-8-22(3)9-6-12/h4,7,10-12H,5-6,8-9H2,1-3H3,(H,18,21)(H,17,19,20)
Synonyms:	4-(3-isopropyl-1H-pyrazol-4-yl)-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine
Definition date:	2010-07-09
Last modified:	2020-06-17
Identifier:	N-(1-methylpiperidin-4-yl)-4-[3-(propan-2-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine

3NV

3NV
Name:	4-[5-chloro-3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-ylpyridin-2-yl)pyrimidin-2-amine
Formula:	C19 H23 Cl N8
SMILES:	Clc4c(c1nc(ncc1)Nc3ncc(N2CCNCC2)cc3)c(nn4)C(C)C
InChi:	InChI=1S/C19H23ClN8/c1-12(2)17-16(18(20)27-26-17)14-5-6-22-19(24-14)25-15-4-3-13(11-23-15)28-9-7-21-8-10-28/h3-6,11-12,21H,7-10H2,1-2H3,(H,26,27)(H,22,23,24,25)
Synonyms:	4-(5-chloro-3-isopropyl-1H-pyrazol-4-yl)-N-(5-(piperazin-1-yl)pyridin-2-yl)pyrimidin-2-amine
Definition date:	2010-07-09
Last modified:	2020-06-17
Identifier:	4-[5-chloro-3-(propan-2-yl)-1H-pyrazol-4-yl]-N-[5-(piperazin-1-yl)pyridin-2-yl]pyrimidin-2-amine

FRZ

FRZ
Name:	5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE
Formula:	C18 H13 N7
SMILES:	n1nc5c(cc1c3c4ccccn4nc3c2ccccc2)c(nn5)N
InChi:	InChI=1S/C18H13N7/c19-17-12-10-13(20-22-18(12)23-21-17)15-14-8-4-5-9-25(14)24-16(15)11-6-2-1-3-7-11/h1-10H,(H3,19,21,22,23)
Synonyms:	FR180204
Definition date:	2004-07-02
Last modified:	2020-06-17
Identifier:	5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridazin-3-amine

FS5

FS5
Name:	IRON/SULFUR PENTA-SULFIDE CONNECTED CLUSTERS
Formula:	Fe8 S13
SMILES:	S(SS[Fe]12\|S3[Fe]\|4S5\|[Fe]3S1\|[Fe]5S2\|4)SS[Fe]67\|S8[Fe]\|9S\|%10[Fe](S6\|9)\|S7[Fe]8\|%10
InChi:	InChI=1S/8Fe.H2S5.8S/c
Synonyms:	PENTASULFIDE-LINKED IRON CUBANES
Definition date:	2013-03-21
Last modified:	2020-06-17
Release date:	2013-04-10

3OG

3OG
Name:	(1S)-1-[(2R)-6-oxotetrahydro-2H-pyran-2-yl]undecyl acetate
Formula:	C18 H32 O4
SMILES:	O=C1OC(C(OC(=O)C)CCCCCCCCCC)CCC1
InChi:	InChI=1S/C18H32O4/c1-3-4-5-6-7-8-9-10-12-16(21-15(2)19)17-13-11-14-18(20)22-17/h16-17H,3-14H2,1-2H3/t16-,17+/m0/s1
Synonyms:	(5R,6S)-6-acetoy-5-hexadecanolide
Definition date:	2010-08-24
Last modified:	2020-06-17
Identifier:	(1S)-1-[(2R)-6-oxotetrahydro-2H-pyran-2-yl]undecyl acetate

FSV

FSV
Name:	5-[(E)-2-(3-fluoro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol
Formula:	C14 H11 F O3
SMILES:	Fc2cc(C=Cc1cc(O)cc(O)c1)ccc2O
InChi:	InChI=1S/C14H11FO3/c15-13-7-9(3-4-14(13)18)1-2-10-5-11(16)8-12(17)6-10/h1-8,16-18H/b2-1+
Synonyms:	fluoro-resveratrol
Definition date:	2014-02-28
Last modified:	2020-06-17
Release date:	2014-05-07
Identifier:	5-[(E)-2-(3-fluoro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol

3P8

3P8
Name:	methylammonium ion
Formula:	C H6 N
SMILES:	[NH3+]C
InChi:	InChI=1S/CH5N/c1-2/h2H2,1H3/p+1
Synonyms:	methanaminium
Definition date:	2014-10-02
Last modified:	2020-06-17
Release date:	2015-07-01
Identifier:	methanaminium

3P9

3P9
Name:	(2S)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol
Formula:	C9 H20 O4
SMILES:	O(C(CO)C)CC(OCC(O)C)C
InChi:	InChI=1S/C9H20O4/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7-11H,4-6H2,1-3H3/t7-,8+,9+/m1/s1
Synonyms:	Polypropyleneglycol
Definition date:	2014-10-01
Last modified:	2020-06-17
Release date:	2015-07-07
Identifier:	(2S)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol

3PD

3PD
Name:	2-AMINO-9-(2-DEOXY-3-O-PHOSPHONOPENTOFURANOSYL)-1,9-DIHYDRO-6H-PURIN-6-ONE
Formula:	C10 H14 N5 O7 P
SMILES:	O=C1c2ncn(c2N=C(N)N1)C3OC(C(OP(=O)(O)O)C3)CO
InChi:	InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(5(2-16)21-6)22-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1
Synonyms:	2'-DEOXYGUANOSINE-3'-MONOPHOSPHATE
Definition date:	2006-04-14
Last modified:	2020-06-17
Identifier:	2'-deoxy-3'-guanylic acid

FT4

FT4
Name:	[(3R)-3-{[(4-fluorophenyl)sulfonyl](methyl)amino}-1,2,3,4-tetrahydro-9H-carbazol-9-yl]acetic acid
Formula:	C21 H21 F N2 O4 S
SMILES:	CN(C2CCc1n(c3c(c1C2)cccc3)CC(O)=O)S(c4ccc(F)cc4)(=O)=O
InChi:	InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-15)17-4-2-3-5-19(17)24(20)13-21(25)26/h2-7,9-10,15H,8,11-13H2,1H3,(H,25,26)/t15-/m1/s1
Synonyms:	CAY10471
Definition date:	2018-04-16
Last modified:	2020-06-17
Release date:	2018-10-03
Identifier:	[(3R)-3-{[(4-fluorophenyl)sulfonyl](methyl)amino}-1,2,3,4-tetrahydro-9H-carbazol-9-yl]acetic acid

3PH

3PH
Name:	1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE
Formula:	C39 H77 O8 P
SMILES:	O=P(O)(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)O
InChi:	InChI=1S/C39H77O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H2,42,43,44)/t37-/m1/s1
Synonyms:	PHOSPHATIDIC ACID
Definition date:	2003-07-09
Last modified:	2020-06-17
Identifier:	(2R)-3-(phosphonooxy)propane-1,2-diyl dioctadecanoate

FTB

FTB
Name:	N-{4-[1-(2-FLUOROBENZYL)-3-BUTYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL]-PHENYL}-ACETAMIDE
Formula:	C25 H26 F N5 O3
SMILES:	Fc1ccccc1CN3C(=O)N(c2nc(nc2C3=O)Cc4ccc(NC(=O)C)cc4)CCCC
InChi:	InChI=1S/C25H26FN5O3/c1-3-4-13-30-23-22(24(33)31(25(30)34)15-18-7-5-6-8-20(18)26)28-21(29-23)14-17-9-11-19(12-10-17)27-16(2)32/h5-12H,3-4,13-15H2,1-2H3,(H,27,32)(H,28,29)
Synonyms:	1-(2-FLUOROBENZYL)-3-BUTYL-8-(N-ACETYL-4-AMINOBENZYL)-XANTHINE
Definition date:	2003-01-08
Last modified:	2020-06-17
Identifier:	N-(4-{[3-butyl-1-(2-fluorobenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}phenyl)acetamide

3PP

3PP
Name:	3-PHOSPHONOPROPANOIC ACID
Formula:	C3 H7 O5 P
SMILES:	O=C(O)CCP(=O)(O)O
InChi:	InChI=1S/C3H7O5P/c4-3(5)1-2-9(6,7)8/h1-2H2,(H,4,5)(H2,6,7,8)
Synonyms:	2-CARBOXYETHYLPHOSPHONIC ACID
Definition date:	2000-12-14
Last modified:	2020-06-17
Identifier:	3-phosphonopropanoic acid

FTS

FTS
Name:	(3R)-3-(FLUOROMETHYL)-N-(3,3,3-TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE
Formula:	C13 H16 F4 N2 O2 S
SMILES:	c2c1CNC(CF)Cc1ccc2S(=O)(=O)NCCC(F)(F)F
InChi:	InChI=1S/C13H16F4N2O2S/c14-7-11-5-9-1-2-12(6-10(9)8-18-11)22(20,21)19-4-3-13(15,16)17/h1-2,6,11,18-19H,3-5,7-8H2/t11-/m1/s1
Synonyms:	3(R)-FLUOROMETHYL 7-TRIFLUOROPROPYLSULFONAMIDE 1,2,3,4-TETRAHYDROISOQUINOLINE
Definition date:	2006-03-03
Last modified:	2020-06-17
Identifier:	(3R)-3-(fluoromethyl)-N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide

3QB

3QB
Name:	LINCOMYCIN
Formula:	C18 H34 N2 O6 S
SMILES:	O=C(NC(C1OC(SC)C(O)C(O)C1O)C(O)C)C2N(C)CC(CCC)C2
InChi:	InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11+,12-,13+,14-,15-,16-,18-/m1/s1
Synonyms:	methyl (5R)-5-[(1R,2R)-2-hydroxy-1-{[(4R)-1-methyl-4-propyl-L-prolyl]amino}propyl]-1-thio-beta-L-arabinopyranoside
Definition date:	2014-10-07
Last modified:	2020-06-17
Release date:	2014-11-05
Identifier:	methyl (5R)-5-[(1R,2R)-2-hydroxy-1-{[(4R)-1-methyl-4-propyl-L-prolyl]amino}propyl]-1-thio-beta-L-arabinopyranoside

FVS

FVS
Name:	(7beta,9beta,13alpha,17beta)-7-{9-[(R)-(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17-diol
Formula:	C32 H47 F5 O3 S
SMILES:	FC(F)(F)C(F)(F)CCCS(=O)CCCCCCCCCC2Cc1c(ccc(O)c1)C3C2C4C(C)(CC3)C(O)CC4
InChi:	InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41-/m1/s1
Synonyms:	Fulvestrant
Definition date:	2013-02-25
Last modified:	2020-06-17
Release date:	2013-06-05
Identifier:	(7beta,9beta,13alpha,17beta)-7-{9-[(R)-(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17-diol

3S5

3S5
Name:	Taurocyamine
Formula:	C3 H9 N3 O3 S
SMILES:	O=S(=O)(O)CCNC(=[N@H])N
InChi:	InChI=1S/C3H9N3O3S/c4-3(5)6-1-2-10(7,8)9/h1-2H2,(H4,4,5,6)(H,7,8,9)
Synonyms:	2-carbamimidamidoethanesulfonic acid
Definition date:	2014-10-16
Last modified:	2020-06-17
Release date:	2015-04-15
Identifier:	2-carbamimidamidoethanesulfonic acid

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