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FY6

FY6
Name:	(1S)-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol
Formula:	C14 H17 Cl N2 O
SMILES:	C[CH](O)c1nccn1CCCc2ccc(Cl)cc2
InChi:	InChI=1S/C14H17ClN2O/c1-11(18)14-16-8-10-17(14)9-2-3-12-4-6-13(15)7-5-12/h4-8,10-11,18H,2-3,9H2,1H3/t11-/m0/s1
Definition date:	2020-07-08
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	(1~{S})-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol

FY9

FY9
Name:	(2R,3R)-2-azanyl-1-[4-[[4-[2-[4-(hydroxymethyl)phenyl]ethynyl]phenyl]methyl]piperidin-1-yl]-4-methylsulfonyl-3-oxidanyl-butan-1-one
Formula:	C26 H32 N2 O5 S
SMILES:	C[S](=O)(=O)C[CH](O)[CH](N)C(=O)N1CCC(CC1)Cc2ccc(cc2)C#Cc3ccc(CO)cc3
InChi:	InChI=1S/C26H32N2O5S/c1-34(32,33)18-24(30)25(27)26(31)28-14-12-22(13-15-28)16-21-8-4-19(5-9-21)2-3-20-6-10-23(17-29)11-7-20/h4-11,22,24-25,29-30H,12-18,27H2,1H3/t24-,25+/m0/s1
Definition date:	2020-07-08
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	(2~{R},3~{R})-2-azanyl-1-[4-[[4-[2-[4-(hydroxymethyl)phenyl]ethynyl]phenyl]methyl]piperidin-1-yl]-4-methylsulfonyl-3-oxidanyl-butan-1-one

FYF

FYF
Name:	(1S)-1-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]ethanol
Formula:	C15 H15 N3 O2
SMILES:	C[CH](O)c1nccn1Cc2cc(on2)c3ccccc3
InChi:	InChI=1S/C15H15N3O2/c1-11(19)15-16-7-8-18(15)10-13-9-14(20-17-13)12-5-3-2-4-6-12/h2-9,11,19H,10H2,1H3/t11-/m0/s1
Definition date:	2020-07-08
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	(1~{S})-1-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]ethanol

FYL

FYL
Name:	2-azanyl-2-[[4-[2-[3-[[2-[(1S)-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenoxy]methyl]propane-1,3-diol
Formula:	C21 H24 N4 O5
SMILES:	C[CH](O)c1nccn1Cc2cc(on2)C#Cc3ccc(OCC(N)(CO)CO)cc3
InChi:	InChI=1S/C21H24N4O5/c1-15(28)20-23-8-9-25(20)11-17-10-19(30-24-17)7-4-16-2-5-18(6-3-16)29-14-21(22,12-26)13-27/h2-3,5-6,8-10,15,26-28H,11-14,22H2,1H3/t15-/m0/s1
Definition date:	2020-07-08
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	2-azanyl-2-[[4-[2-[3-[[2-[(1~{S})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenoxy]methyl]propane-1,3-diol

FYR

FYR
Name:	2-oxidanyl-4-phenyl-benzoic acid
Formula:	C13 H10 O3
SMILES:	OC(=O)c1ccc(cc1O)c2ccccc2
InChi:	InChI=1S/C13H10O3/c14-12-8-10(6-7-11(12)13(15)16)9-4-2-1-3-5-9/h1-8,14H,(H,15,16)
Definition date:	2020-07-08
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	2-oxidanyl-4-phenyl-benzoic acid

FZ0

FZ0
Name:	2-azanyl-N-[3-(trifluoromethyloxy)phenyl]ethanamide
Formula:	C9 H9 F3 N2 O2
SMILES:	NCC(=O)Nc1cccc(OC(F)(F)F)c1
InChi:	InChI=1S/C9H9F3N2O2/c10-9(11,12)16-7-3-1-2-6(4-7)14-8(15)5-13/h1-4H,5,13H2,(H,14,15)
Definition date:	2020-07-08
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	2-azanyl-~{N}-[3-(trifluoromethyloxy)phenyl]ethanamide

FZ3

FZ3
Name:	1-[3-(4-chlorophenyl)propyl]imidazole
Formula:	C12 H13 Cl N2
SMILES:	Clc1ccc(CCCn2ccnc2)cc1
InChi:	InChI=1S/C12H13ClN2/c13-12-5-3-11(4-6-12)2-1-8-15-9-7-14-10-15/h3-7,9-10H,1-2,8H2
Definition date:	2020-07-08
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	1-[3-(4-chlorophenyl)propyl]imidazole

FZ6

FZ6
Name:	(2R)-2-azanyl-3-oxidanyl-N-[3-(trifluoromethyloxy)phenyl]propanamide
Formula:	C10 H11 F3 N2 O3
SMILES:	N[CH](CO)C(=O)Nc1cccc(OC(F)(F)F)c1
InChi:	InChI=1S/C10H11F3N2O3/c11-10(12,13)18-7-3-1-2-6(4-7)15-9(17)8(14)5-16/h1-4,8,16H,5,14H2,(H,15,17)/t8-/m1/s1
Definition date:	2020-07-08
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	(2~{R})-2-azanyl-3-oxidanyl-~{N}-[3-(trifluoromethyloxy)phenyl]propanamide

J1L

J1L
Name:	5'-{[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]sulfonyl}-5'-deoxyadenosine
Formula:	C27 H36 N12 O9 S
SMILES:	C(O)(C4CC(S(CC1C(O)C(C(O1)n2cnc3c2ncnc3N)O)(=O)=O)CCN4CCNC(C=6C(C)(C)NC=5N=C(NC(C=5N=6)=O)N)=O)=O
InChi:	InChI=1S/C27H36N12O9S/c1-27(2)18(34-15-20(37-27)35-26(29)36-22(15)42)23(43)30-4-6-38-5-3-11(7-12(38)25(44)45)49(46,47)8-13-16(40)17(41)24(48-13)39-10-33-14-19(28)31-9-32-21(14)39/h9-13,16-17,24,40-41H,3-8H2,1-2H3,(H,30,43)(H,44,45)(H2,28,31,32)(H4,29,35,36,37,42)/t11-,12-,13-,16-,17-,24-/m1/s1
Definition date:	2020-10-09
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	5'-{[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]sulfonyl}-5'-deoxyadenosine

GWF

GWF
Name:	Tropifexor
Formula:	C29 H25 F4 N3 O5 S
SMILES:	OC(=O)c1cc(F)c2nc(sc2c1)N3[CH]4CC[CH]3C[CH](C4)OCc5c(onc5c6ccccc6OC(F)(F)F)C7CC7
InChi:	InChI=1S/C29H25F4N3O5S/c30-21-9-15(27(37)38)10-23-25(21)34-28(42-23)36-16-7-8-17(36)12-18(11-16)39-13-20-24(35-41-26(20)14-5-6-14)19-3-1-2-4-22(19)40-29(31,32)33/h1-4,9-10,14,16-18H,5-8,11-13H2,(H,37,38)/t16-,17+,18+
Definition date:	2020-09-29
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	2-[(1~{R},5~{S})-3-[[5-cyclopropyl-3-[2-(trifluoromethyloxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-4-fluoranyl-1,3-benzothiazole-6-carboxylic acid

H73

H73
Name:	5'-S-[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]-5'-thioadenosine
Formula:	C27 H36 N12 O7 S
SMILES:	C(O)(C4CC(SCC3C(O)C(O)C(n2cnc1c2ncnc1N)O3)CCN4CCNC(=O)C=6C(C)(C)NC5=C(C(=O)NC(=N5)N)N=6)=O
InChi:	InChI=1S/C27H36N12O7S/c1-27(2)18(34-15-20(37-27)35-26(29)36-22(15)42)23(43)30-4-6-38-5-3-11(7-12(38)25(44)45)47-8-13-16(40)17(41)24(46-13)39-10-33-14-19(28)31-9-32-21(14)39/h9-13,16-17,24,40-41H,3-8H2,1-2H3,(H,30,43)(H,44,45)(H2,28,31,32)(H4,29,35,36,37,42)/t11-,12-,13-,16-,17-,24-/m1/s1
Definition date:	2020-10-09
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	5'-S-[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]-5'-thioadenosine

F8U

F8U
Name:	(2R,3R)-2,3-bis(oxidanyl)butane-1,4-disulfonic acid
Formula:	C4 H10 O8 S2
SMILES:	O[CH](C[S](O)(=O)=O)[CH](O)C[S](O)(=O)=O
InChi:	InChI=1S/C4H10O8S2/c5-3(1-13(7,8)9)4(6)2-14(10,11)12/h3-6H,1-2H2,(H,7,8,9)(H,10,11,12)/t3-,4-/m0/s1
Definition date:	2020-04-15
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	(2~{R},3~{R})-2,3-bis(oxidanyl)butane-1,4-disulfonic acid

21G

21G
Name:	(2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
Formula:	C20 H19 F2 N5 O2
SMILES:	O=C(O)C5C1CCC(CC1)C5Nc2nc(ncc2F)c4c3cc(F)cnc3nc4
InChi:	InChI=1S/C20H19F2N5O2/c21-11-5-12-13(7-24-17(12)23-6-11)18-25-8-14(22)19(27-18)26-16-10-3-1-9(2-4-10)15(16)20(28)29/h5-10,15-16H,1-4H2,(H,23,24)(H,28,29)(H,25,26,27)/t9-,10+,15-,16-/m0/s1
Synonyms:	3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
Definition date:	2014-03-03
Last modified:	2020-11-26
Release date:	2014-07-30
Identifier:	(1R,2S,3S,4R)-3-{[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino}bicyclo[2.2.2]octane-2-carboxylic acid

Z8I

Z8I
Name:	(3R,5S)-3-fluoro-5-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-1-(2-hydroxy-2-methylpropyl)pyrrolidin-2-one
Formula:	C30 H29 F9 N2 O5 S
SMILES:	C2CN(C(=O)C1N(C(C(C1)F)=O)CC(O)(C)C)C3CCc5cc(C(C(F)(F)F)(F)C(F)(F)F)ccc5C23S(c4ccc(cc4)F)(=O)=O
InChi:	InChI=1S/C30H29F9N2O5S/c1-26(2,44)15-41-22(14-21(32)24(41)42)25(43)40-12-11-27(47(45,46)19-7-5-18(31)6-8-19)20-9-4-17(13-16(20)3-10-23(27)40)28(33,29(34,35)36)30(37,38)39/h4-9,13,21-23,44H,3,10-12,14-15H2,1-2H3/t21-,22+,23-,27-/m1/s1
Definition date:	2020-08-31
Last modified:	2020-11-20
Release date:	2020-11-25
Identifier:	(3R,5S)-3-fluoro-5-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-1-(2-hydroxy-2-methylpropyl)pyrrolidin-2-one

WUG

WUG
Name:	1-(2,4-dimethyl-1H-imidazol-5-yl)methanamine
Formula:	C6 H11 N3
SMILES:	Cc1c(CN)nc(n1)C
InChi:	InChI=1S/C6H11N3/c1-4-6(3-7)9-5(2)8-4/h3,7H2,1-2H3,(H,8,9)
Definition date:	2020-11-17
Last modified:	2020-11-20
Release date:	2020-11-25
Identifier:	1-(2,4-dimethyl-1H-imidazol-5-yl)methanamine

WUJ

WUJ
Name:	N-[(furan-2-yl)methyl]urea
Formula:	C6 H8 N2 O2
SMILES:	NC(NCc1ccco1)=O
InChi:	InChI=1S/C6H8N2O2/c7-6(9)8-4-5-2-1-3-10-5/h1-3H,4H2,(H3,7,8,9)
Definition date:	2020-11-17
Last modified:	2020-11-20
Release date:	2020-11-25
Identifier:	N-[(furan-2-yl)methyl]urea

WUM

WUM
Name:	4-[(dimethylamino)methyl]-1,3-thiazol-2-amine
Formula:	C6 H11 N3 S
SMILES:	CN(C)Cc1nc(sc1)N
InChi:	InChI=1S/C6H11N3S/c1-9(2)3-5-4-10-6(7)8-5/h4H,3H2,1-2H3,(H2,7,8)
Definition date:	2020-11-17
Last modified:	2020-11-20
Release date:	2020-11-25
Identifier:	4-[(dimethylamino)methyl]-1,3-thiazol-2-amine

WUS

WUS
Name:	(5R)-2-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-5-amine
Formula:	C8 H13 N3
SMILES:	c12CC(CCc1nc(C)n2)N
InChi:	InChI=1S/C8H13N3/c1-5-10-7-3-2-6(9)4-8(7)11-5/h6H,2-4,9H2,1H3,(H,10,11)/t6-/m1/s1
Definition date:	2020-11-17
Last modified:	2020-11-20
Release date:	2020-11-25
Identifier:	(5R)-2-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-5-amine

WUV

WUV
Name:	5'-thiothymidine
Formula:	C10 H14 N2 O4 S
SMILES:	C(S)C2C(CC(N1C(NC(C(C)=C1)=O)=O)O2)O
InChi:	InChI=1S/C10H14N2O4S/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(4-17)16-8/h3,6-8,13,17H,2,4H2,1H3,(H,11,14,15)/t6-,7+,8+/m0/s1
Definition date:	2020-11-17
Last modified:	2020-11-20
Release date:	2020-11-25
Identifier:	5'-thiothymidine

WUY

WUY
Name:	N-(2-aminoethyl)-N'-phenylurea
Formula:	C9 H13 N3 O
SMILES:	c1ccc(NC(NCCN)=O)cc1
InChi:	InChI=1S/C9H13N3O/c10-6-7-11-9(13)12-8-4-2-1-3-5-8/h1-5H,6-7,10H2,(H2,11,12,13)
Definition date:	2020-11-17
Last modified:	2020-11-20
Release date:	2020-11-25
Identifier:	N-(2-aminoethyl)-N'-phenylurea

RXQ

RXQ
Name:	N-[3-[5-(4-Chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]benzenesulfonamide
Formula:	C26 H16 Cl F2 N3 O3 S
SMILES:	Fc1ccc(N[S](=O)(=O)c2ccccc2)c(F)c1C(=O)c3c[nH]c4ncc(cc34)c5ccc(Cl)cc5
InChi:	InChI=1S/C26H16ClF2N3O3S/c27-17-8-6-15(7-9-17)16-12-19-20(14-31-26(19)30-13-16)25(33)23-21(28)10-11-22(24(23)29)32-36(34,35)18-4-2-1-3-5-18/h1-14,32H,(H,30,31)
Synonyms:	N-[3-[[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]-2,4-bis(fluoranyl)phenyl]benzenesulfonamide
Definition date:	2020-10-31
Last modified:	2020-11-20
Release date:	2020-11-25
Identifier:	~{N}-[3-[[5-(4-chlorophenyl)-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]-2,4-bis(fluoranyl)phenyl]benzenesulfonamide

RJQ

RJQ
Name:	(3~{S},7~{R},10~{R},13~{S})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxamide
Formula:	C35 H41 Cl N6 O6
SMILES:	CC(=O)N[CH](Cc1ccccc1Cl)C(=O)N2CCC[C]23C=C[CH]4CC[CH](N4C3=O)C(=O)N5CC[CH]6C=C[CH]7CC[CH](N7C(=O)[CH]56)C(N)=O
InChi:	InChI=1S/C35H41ClN6O6/c1-20(43)38-26(19-22-5-2-3-6-25(22)36)31(45)40-17-4-15-35(40)16-13-24-10-12-28(42(24)34(35)48)32(46)39-18-14-21-7-8-23-9-11-27(30(37)44)41(23)33(47)29(21)39/h2-3,5-8,13,16,21,23-24,26-29H,4,9-12,14-15,17-19H2,1H3,(H2,37,44)(H,38,43)/t21-,23-,24-,26-,27-,28-,29-,35+/m0/s1
Definition date:	2020-09-30
Last modified:	2020-11-20
Release date:	2020-11-25
Identifier:	(3~{S},7~{R},10~{R},13~{S})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxamide

RXY

RXY
Name:	(7Z,19R,22R)-25-amino-22-hydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphapentacos-7-en-19-yl (9Z)-octadec-9-enoate
Formula:	C39 H74 N O8 P
SMILES:	CCCCCCCCC=C/CCCCCCCC(=O)OC(COP(=O)(O)OCCN)COC(=O)CCCCCCC[C@H]=CCCCCCC
InChi:	InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h14,16-18,37H,3-13,15,19-36,40H2,1-2H3,(H,43,44)/b16-14-,18-17-/t37-/m1/s1
Definition date:	2020-02-28
Last modified:	2020-11-20
Release date:	2020-11-25
Identifier:	(7Z,19R,22R)-25-amino-22-hydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphapentacos-7-en-19-yl (9Z)-octadec-9-enoate

WGA

WGA
Name:	(3S)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol
Formula:	C11 H15 F N2 O
SMILES:	c2ccnc(N1CC(C(C)(C1)C)O)c2F
InChi:	InChI=1S/C11H15FN2O/c1-11(2)7-14(6-9(11)15)10-8(12)4-3-5-13-10/h3-5,9,15H,6-7H2,1-2H3/t9-/m1/s1
Definition date:	2020-10-29
Last modified:	2020-11-20
Release date:	2020-11-25
Identifier:	(3S)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol

WGD

WGD
Name:	1-{(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl}methanamine
Formula:	C10 H16 F N3 S
SMILES:	n1c(C)scc1CN2CC(F)CC2CN
InChi:	InChI=1S/C10H16FN3S/c1-7-13-9(6-15-7)5-14-4-8(11)2-10(14)3-12/h6,8,10H,2-5,12H2,1H3/t8-,10-/m0/s1
Definition date:	2020-10-29
Last modified:	2020-11-20
Release date:	2020-11-25
Identifier:	1-{(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl}methanamine

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