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5LW

5LW
Name:	1-[[(2~{S},4~{S})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
Formula:	C19 H17 Cl2 N3 O3
SMILES:	C[CH]1CO[C](Cn2cncn2)(O1)c3ccc(Oc4ccc(Cl)cc4)cc3Cl
InChi:	InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3/t13-,19+/m0/s1
Synonyms:	Difenoconazole
Definition date:	2015-10-21
Last modified:	2020-06-17
Release date:	2016-02-10
Identifier:	1-[[(2~{S},4~{S})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole

5LX

5LX
Name:	1-[[(2~{R},4~{S})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
Formula:	C19 H17 Cl2 N3 O3
SMILES:	C[CH]1CO[C](Cn2cncn2)(O1)c3ccc(Oc4ccc(Cl)cc4)cc3Cl
InChi:	InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3/t13-,19-/m0/s1
Synonyms:	Difenoconazole
Definition date:	2015-10-21
Last modified:	2020-06-17
Release date:	2016-02-10
Identifier:	1-[[(2~{R},4~{S})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole

5MD

5MD
Name:	2'-deoxy-1-methyl-pseudouridine
Formula:	C10 H14 N2 O5
SMILES:	O=C1N(C=C(C(=O)N1)C2OC(CO)C(O)C2)C
InChi:	InChI=1S/C10H14N2O5/c1-12-3-5(9(15)11-10(12)16)7-2-6(14)8(4-13)17-7/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1
Synonyms:	5-METHYL-2'-DEOXYPSEUDOURIDINE
Definition date:	2000-07-26
Last modified:	2020-06-17
Identifier:	(1R)-1,4-anhydro-2-deoxy-1-(1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-D-erythro-pentitol

W91

W91
Name:	5-(3-(2,6-DICHLORO-4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)PROPYL)-3-METHYL ISOXAZOLE
Formula:	C16 H16 Cl2 N2 O3
SMILES:	Clc3c(OCCCc1onc(c1)C)c(Cl)cc(C2=NCCO2)c3
InChi:	InChI=1S/C16H16Cl2N2O3/c1-10-7-12(23-20-10)3-2-5-21-15-13(17)8-11(9-14(15)18)16-19-4-6-22-16/h7-9H,2-6H2,1H3
Synonyms:	WIN56291
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	5-{3-[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]propyl}-3-methylisoxazole

5N7

5N7
Name:	(13S,16R)-N-(4-carbamimidoylbenzyl)-16-((N-cyclohexylsulfamoyl)amino)-3,9,15-trioxo-2,10,14-triaza-6(1,4)-piperazina-1, 11(1,4)-dibenzenacycloheptadecaphane-13-carboxamide
Formula:	C42 H56 N10 O6 S
SMILES:	NC(=N)c1ccc(CNC(=O)[CH]2Cc3ccc(NC(=O)CCN4CCN(CC4)CCC(=O)Nc5ccc(C[CH](N[S](=O)(=O)NC6CCCCC6)C(=O)N2)cc5)cc3)cc1
InChi:	InChI=1S/C42H56N10O6S/c43-40(44)32-12-6-31(7-13-32)28-45-41(55)36-26-29-8-14-33(15-9-29)46-38(53)18-20-51-22-24-52(25-23-51)21-19-39(54)47-34-16-10-30(11-17-34)27-37(42(56)48-36)50-59(57,58)49-35-4-2-1-3-5-35/h6-17,35-37,49-50H,1-5,18-28H2,(H3,43,44)(H,45,55)(H,46,53)(H,47,54)(H,48,56)/t36-,37+/m0/s1
Synonyms:	MI-133
Definition date:	2015-10-27
Last modified:	2020-06-17
Release date:	2016-07-13

5NA

5NA
Name:	2-hydroxy-5-methyl naphthoic acid
Formula:	C12 H10 O3
SMILES:	O=C(O)c1c2c(ccc1O)c(ccc2)C
InChi:	InChI=1S/C12H10O3/c1-7-3-2-4-9-8(7)5-6-10(13)11(9)12(14)15/h2-6,13H,1H3,(H,14,15)
Synonyms:	2-hydroxy-5-methylnaphthalene-1-carboxylic acid
Definition date:	2009-07-10
Last modified:	2020-06-17
Identifier:	2-hydroxy-5-methylnaphthalene-1-carboxylic acid

5NK

5NK
Name:	2-[[2-[[1-(2-azanylethyl)piperidin-4-yl]amino]-4-methyl-benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol
Formula:	C22 H30 N6 O
SMILES:	Cc1ccc(O)c(Cn2c(NC3CCN(CCN)CC3)nc4c(C)cccc24)n1
InChi:	InChI=1S/C22H30N6O/c1-15-4-3-5-19-21(15)26-22(25-17-8-11-27(12-9-17)13-10-23)28(19)14-18-20(29)7-6-16(2)24-18/h3-7,17,29H,8-14,23H2,1-2H3,(H,25,26)
Synonyms:	JNJ-2408068
Definition date:	2015-10-27
Last modified:	2020-06-17
Release date:	2015-12-09
Identifier:	2-[[2-[[1-(2-azanylethyl)piperidin-4-yl]amino]-4-methyl-benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol

5NP

5NP
Name:	(9~{b}~{R})-9~{b}-(4-chlorophenyl)-1-pyridin-3-ylcarbonyl-2,3-dihydroimidazo[5,6]pyrrolo[1,2-~{a}]pyridin-5-one
Formula:	C21 H15 Cl N4 O2
SMILES:	Clc1ccc(cc1)[C]23N(CCN2C(=O)c4ccncc34)C(=O)c5cccnc5
InChi:	InChI=1S/C21H15ClN4O2/c22-16-5-3-15(4-6-16)21-18-13-24-9-7-17(18)20(28)26(21)11-10-25(21)19(27)14-2-1-8-23-12-14/h1-9,12-13H,10-11H2/t21-/m0/s1
Synonyms:	BTA-9881
Definition date:	2015-10-27
Last modified:	2020-06-17
Release date:	2015-12-09
Identifier:	(9~{b}~{R})-9~{b}-(4-chlorophenyl)-1-pyridin-3-ylcarbonyl-2,3-dihydroimidazo[5,6]pyrrolo[1,2-~{a}]pyridin-5-one

WAA

WAA
Name:	(2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid
Formula:	C31 H40 N2 O3
SMILES:	CC(C)C1=CC2=CC[CH]3[C](C)(CCC[C]3(C)C(=O)N[CH](Cc4c[nH]c5ccccc45)C(O)=O)[CH]2CC1
InChi:	InChI=1S/C31H40N2O3/c1-19(2)20-10-12-24-21(16-20)11-13-27-30(24,3)14-7-15-31(27,4)29(36)33-26(28(34)35)17-22-18-32-25-9-6-5-8-23(22)25/h5-6,8-9,11,16,18-19,24,26-27,32H,7,10,12-15,17H2,1-4H3,(H,33,36)(H,34,35)/t24-,26-,27+,30+,31+/m0/s1
Synonyms:	N-Abietoyl-L-Tryptophan
Definition date:	2019-03-15
Last modified:	2020-06-17
Release date:	2020-03-18
Identifier:	(2~{S})-2-[[(1~{R},4~{a}~{R},4~{b}~{R},10~{a}~{R})-1,4~{a}-dimethyl-7-propan-2-yl-2,3,4,4~{b},5,6,10,10~{a}-octahydrophenanthren-1-yl]carbonylamino]-3-(1~{H}-indol-3-yl)propanoic acid

5OD

5OD
Name:	6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine
Formula:	C16 H19 Cl2 N5
SMILES:	CC1(N)CCN(CC1)c2cnc(c(N)n2)c3cccc(Cl)c3Cl
InChi:	InChI=1S/C16H19Cl2N5/c1-16(20)5-7-23(8-6-16)12-9-21-14(15(19)22-12)10-3-2-4-11(17)13(10)18/h2-4,9H,5-8,20H2,1H3,(H2,19,22)
Synonyms:	SHP099
Definition date:	2015-10-29
Last modified:	2020-06-17
Release date:	2016-06-29
Identifier:	6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine

5OP

5OP
Name:	(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-5,13-DIEN-1-OIC ACID
Formula:	C20 H30 O5
SMILES:	O=C(O)CCC/C=C/CC1C(=O)CC(O)C1C=CC(=O)CCCCC
InChi:	InChI=1S/C20H30O5/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/h4,7,12-13,16-17,19,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4?,13-12+
Synonyms:	15-OXO-PGE2
Definition date:	2003-11-11
Last modified:	2020-06-17
Identifier:	(8beta,13E)-11-hydroxy-9,15-dioxoprosta-5,13-dien-1-oic acid

5OY

5OY
Name:	5-phosphono-L-norvaline
Formula:	C5 H12 N O5 P
SMILES:	N[CH](CCC[P](O)(O)=O)C(O)=O
InChi:	InChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)/t4-/m0/s1
Synonyms:	(2~{S})-2-azanyl-5-phosphono-pentanoic acid
Definition date:	2015-11-02
Last modified:	2020-06-17
Release date:	2016-11-09
Identifier:	(2~{S})-2-azanyl-5-phosphono-pentanoic acid

5OZ

5OZ
Name:	2-methylpropanal
Formula:	C4 H8 O
SMILES:	CC(C)C=O
InChi:	InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3
Synonyms:	Isobutyraldehyde
Definition date:	2015-11-03
Last modified:	2020-06-17
Release date:	2016-11-16
Identifier:	2-methylpropanal

5PA

5PA
Name:	N-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-Y-LMETHYL]-1-AMINO-CYCLOPROPANECARBOXYLIC ACID
Formula:	C12 H17 N2 O7 P
SMILES:	O=C(O)C2(NCc1c(cnc(c1O)C)COP(=O)(O)O)CC2
InChi:	InChI=1S/C12H17N2O7P/c1-7-10(15)9(5-14-12(2-3-12)11(16)17)8(4-13-7)6-21-22(18,19)20/h4,14-15H,2-3,5-6H2,1H3,(H,16,17)(H2,18,19,20)
Synonyms:	N-PYRIDOXYL-1-AMINO-CYCLOPROPANECARBOXYLIC ACID-5-MONOPHOSPHATE
Definition date:	1999-10-21
Last modified:	2020-06-17
Identifier:	1-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopropanecarboxylic acid

5PI

5PI
Name:	N-(ETHYLSULFONYL)-5-PROPOXY-L-TRYPTOPHYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-L-GLUTAMAMIDE
Formula:	C29 H39 N7 O6 S
SMILES:	O=C(NCc1ccc(C(=[N@H])N)cc1)C(NC(=O)C(NS(=O)(=O)CC)Cc3c2cc(OCCC)ccc2nc3)CCC(=O)N
InChi:	InChI=1S/C29H39N7O6S/c1-3-13-42-21-9-10-23-22(15-21)20(17-33-23)14-25(36-43(40,41)4-2)29(39)35-24(11-12-26(30)37)28(38)34-16-18-5-7-19(8-6-18)27(31)32/h5-10,15,17,24-25,33,36H,3-4,11-14,16H2,1-2H3,(H2,30,37)(H3,31,32)(H,34,38)(H,35,39)/t24-,25+/m0/s1
Synonyms:	2-[2-ETHANESULFONYLAMINO-3-(5-PROPOXY-1H-INDOL-3-YL)-PROPIONYLAMINO]-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIMIDOYL-BENZYLAMIDE)
Definition date:	2004-12-17
Last modified:	2020-06-17
Identifier:	N-(ethylsulfonyl)-5-propoxy-D-tryptophyl-N~1~-(4-carbamimidoylbenzyl)-L-glutamamide

5PM

5PM
Name:	4,4'-sulfanediylbis{N-[(1E)-pyridin-2-ylmethylidene]aniline}
Formula:	C24 H18 N4 S
SMILES:	N(/c3ccc(Sc2ccc(/N=C/c1ncccc1)cc2)cc3)=Cc4ncccc4
InChi:	InChI=1S/C24H18N4S/c1-3-15-25-21(5-1)17-27-19-7-11-23(12-8-19)29-24-13-9-20(10-14-24)28-18-22-6-2-4-16-26-22/h1-18H/b27-17+,28-18+
Synonyms:	1,1-Bis(N-(4-phenyl)-2-pyridylcarboxaldimine)thioether
Definition date:	2009-03-17
Last modified:	2020-06-17
Identifier:	4,4'-sulfanediylbis{N-[(1E)-pyridin-2-ylmethylidene]aniline}

5PX

5PX
Name:	4-Cyclopropyl-3,4-dihydro-7-hydroxy-2H-1,2,4-benzothiadiazine 1,1-dioxide
Formula:	C10 H12 N2 O3 S
SMILES:	Oc1ccc2N(CN[S](=O)(=O)c2c1)C3CC3
InChi:	InChI=1S/C10H12N2O3S/c13-8-3-4-9-10(5-8)16(14,15)11-6-12(9)7-1-2-7/h3-5,7,11,13H,1-2,6H2
Synonyms:	BPAM-521
Definition date:	2015-11-05
Last modified:	2020-06-17
Release date:	2016-05-04
Identifier:	4-cyclopropyl-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6},2,4-benzothiadiazin-7-ol

WDL

WDL
Name:	1,3,5-triazine-2,4,6-triol
Formula:	C3 H3 N3 O3
SMILES:	Oc1nc(O)nc(O)n1
InChi:	InChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)
Synonyms:	Cyanuric Acid
Definition date:	2012-12-19
Last modified:	2020-06-17
Release date:	2013-05-22
Identifier:	1,3,5-triazine-2,4,6-triol

5RM

5RM
Name:	(5R)-5-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-oxazolidin-2-one
Formula:	C14 H19 N O4
SMILES:	CCCOc1cc(ccc1OC)[C]2(C)CNC(=O)O2
InChi:	InChI=1S/C14H19NO4/c1-4-7-18-12-8-10(5-6-11(12)17-3)14(2)9-15-13(16)19-14/h5-6,8H,4,7,9H2,1-3H3,(H,15,16)/t14-/m0/s1
Synonyms:	(R)-MESOPRAM
Definition date:	2004-11-17
Last modified:	2020-06-17
Identifier:	(5R)-5-(4-methoxy-3-propoxy-phenyl)-5-methyl-1,3-oxazolidin-2-one

5S7

5S7
Name:	(2~{R},3~{R},4~{S},5~{S})-2-[2,6-bis(azanyl)purin-9-yl]-5-(methylsulfanylmethyl)oxolane-3,4-diol
Formula:	C11 H16 N6 O3 S
SMILES:	CSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)nc(N)nc23
InChi:	InChI=1S/C11H16N6O3S/c1-21-2-4-6(18)7(19)10(20-4)17-3-14-5-8(12)15-11(13)16-9(5)17/h3-4,6-7,10,18-19H,2H2,1H3,(H4,12,13,15,16)/t4-,6-,7-,10-/m1/s1
Synonyms:	2-amino-5'-deoxy-5'-(methylthio)adenosine
Definition date:	2015-11-19
Last modified:	2020-06-17
Release date:	2016-12-21
Identifier:	(2~{R},3~{R},4~{S},5~{S})-2-[2,6-bis(azanyl)purin-9-yl]-5-(methylsulfanylmethyl)oxolane-3,4-diol

5SP

5SP
Name:	5-O-phosphono-D-xylulose
Formula:	C5 H11 O8 P
SMILES:	O=P(OCC(O)C(O)C(=O)CO)(O)O
InChi:	InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5-/m1/s1
Synonyms:	D-xylulose 5-phosphate
Definition date:	2010-03-12
Last modified:	2020-06-17
Identifier:	5-O-phosphono-D-xylulose

5VC

5VC
Name:	4-(3-chloranyl-2-fluoranyl-phenoxy)-1-[[6-(1,3-thiazol-2-ylamino)pyridin-2-yl]methyl]cyclohexane-1-carboxylic acid
Formula:	C22 H21 Cl F N3 O3 S
SMILES:	OC(=O)[C]1(CC[CH](CC1)Oc2cccc(Cl)c2F)Cc3cccc(Nc4sccn4)n3
InChi:	InChI=1S/C22H21ClFN3O3S/c23-16-4-2-5-17(19(16)24)30-15-7-9-22(10-8-15,20(28)29)13-14-3-1-6-18(26-14)27-21-25-11-12-31-21/h1-6,11-12,15H,7-10,13H2,(H,28,29)(H,25,26,27)/t15-,22-
Synonyms:	MK-5108
Definition date:	2015-12-08
Last modified:	2020-06-17
Release date:	2016-01-20
Identifier:	4-(3-chloranyl-2-fluoranyl-phenoxy)-1-[[6-(1,3-thiazol-2-ylamino)pyridin-2-yl]methyl]cyclohexane-1-carboxylic acid

5W3

5W3
Name:	~{N}-[2-[[6-chloranyl-3-[3-(2-hydroxyethylsulfamoyl)-4-methoxy-phenyl]-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethy l]ethanamide
Formula:	C20 H25 Cl N6 O5 S
SMILES:	COc1ccc(cc1[S](=O)(=O)NCCO)c2n3nc(Cl)cc(NCCNC(C)=O)c3nc2C
InChi:	InChI=1S/C20H25ClN6O5S/c1-12-19(14-4-5-16(32-3)17(10-14)33(30,31)24-8-9-28)27-20(25-12)15(11-18(21)26-27)23-7-6-22-13(2)29/h4-5,10-11,23-24,28H,6-9H2,1-3H3,(H,22,29)
Synonyms:	MI364
Definition date:	2015-12-14
Last modified:	2020-06-17
Release date:	2016-12-28
Identifier:	~{N}-[2-[[6-chloranyl-3-[3-(2-hydroxyethylsulfamoyl)-4-methoxy-phenyl]-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethyl]ethanamide

5WB

5WB
Name:	5-[(3S)-3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
Formula:	C18 H22 N4 O4
SMILES:	C(#CC(OC)c1cc(OC)c(OC)c(OC)c1)c2c(nc(nc2C)N)N
InChi:	InChI=1S/C18H22N4O4/c1-10-12(17(19)22-18(20)21-10)6-7-13(23-2)11-8-14(24-3)16(26-5)15(9-11)25-4/h8-9,13H,1-5H3,(H4,19,20,21,22)/t13-/m1/s1
Synonyms:	(S)-2,4-diamino-5-(3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-ynyl)-6-methylpyrimidine
Definition date:	2009-09-22
Last modified:	2020-06-17
Identifier:	5-[(3S)-3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine

5WN

5WN
Name:	3-[(sulfamoylamino)methyl]-1-benzothiophene
Formula:	C9 H10 N2 O2 S2
SMILES:	N[S](=O)(=O)NCc1csc2ccccc12
InChi:	InChI=1S/C9H10N2O2S2/c10-15(12,13)11-5-7-6-14-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H2,10,12,13)
Synonyms:	JNJ-26990990
Definition date:	2015-12-16
Last modified:	2020-06-17
Release date:	2016-05-18
Identifier:	3-[(sulfamoylamino)methyl]-1-benzothiophene

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