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OEZ

OEZ
Name:	~{N}-cyclobutyl-3-(6-ethanoylpyrrolo[1,2-a]pyrimidin-8-yl)-4-methoxy-benzamide
Formula:	C21 H21 N3 O3
SMILES:	COc1ccc(cc1c2cc(n3cccnc23)C(C)=O)C(=O)NC4CCC4
InChi:	InChI=1S/C21H21N3O3/c1-13(25)18-12-17(20-22-9-4-10-24(18)20)16-11-14(7-8-19(16)27-2)21(26)23-15-5-3-6-15/h4,7-12,15H,3,5-6H2,1-2H3,(H,23,26)
Definition date:	2020-03-02
Last modified:	2021-03-26
Release date:	2021-03-31
Identifier:	~{N}-cyclobutyl-3-(6-ethanoylpyrrolo[1,2-a]pyrimidin-8-yl)-4-methoxy-benzamide

OF5

OF5
Name:	1-[8-(2,5-dimethoxyphenyl)pyrrolo[1,2-a]pyrimidin-6-yl]ethanone
Formula:	C17 H16 N2 O3
SMILES:	COc1ccc(OC)c(c1)c2cc(n3cccnc23)C(C)=O
InChi:	InChI=1S/C17H16N2O3/c1-11(20)15-10-14(17-18-7-4-8-19(15)17)13-9-12(21-2)5-6-16(13)22-3/h4-10H,1-3H3
Definition date:	2020-03-02
Last modified:	2021-03-26
Release date:	2021-03-31
Identifier:	1-[8-(2,5-dimethoxyphenyl)pyrrolo[1,2-a]pyrimidin-6-yl]ethanone

OF8

OF8
Name:	1-(8-pyridin-2-ylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone
Formula:	C14 H11 N3 O
SMILES:	CC(=O)c1cc(c2ccccn2)c3ncccn13
InChi:	InChI=1S/C14H11N3O/c1-10(18)13-9-11(12-5-2-3-6-15-12)14-16-7-4-8-17(13)14/h2-9H,1H3
Definition date:	2020-03-02
Last modified:	2021-03-26
Release date:	2021-03-31
Identifier:	1-(8-pyridin-2-ylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone

OFK

OFK
Name:	1-(8-phenylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone
Formula:	C15 H12 N2 O
SMILES:	CC(=O)c1cc(c2ccccc2)c3ncccn13
InChi:	InChI=1S/C15H12N2O/c1-11(18)14-10-13(12-6-3-2-4-7-12)15-16-8-5-9-17(14)15/h2-10H,1H3
Definition date:	2020-03-02
Last modified:	2021-03-26
Release date:	2021-03-31
Identifier:	1-(8-phenylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone

OGB

OGB
Name:	methyl isoquinoline-5-carboxylate
Formula:	C11 H9 N O2
SMILES:	COC(=O)c1cccc2cnccc12
InChi:	InChI=1S/C11H9NO2/c1-14-11(13)10-4-2-3-8-7-12-6-5-9(8)10/h2-7H,1H3
Definition date:	2020-03-04
Last modified:	2021-03-26
Release date:	2021-03-31
Identifier:	methyl isoquinoline-5-carboxylate

OGQ

OGQ
Name:	[9-[2-carboxy-5-[(4-methylphenyl)methylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
Formula:	C33 H32 N3 O4
SMILES:	CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4cc(ccc4C(O)=O)C(=O)NCc5ccc(C)cc5)=[N+](C)C)c1
InChi:	InChI=1S/C33H31N3O4/c1-20-6-8-21(9-7-20)19-34-32(37)22-10-13-25(33(38)39)28(16-22)31-26-14-11-23(35(2)3)17-29(26)40-30-18-24(36(4)5)12-15-27(30)31/h6-18H,19H2,1-5H3,(H-,34,37,38,39)/p+1
Definition date:	2020-03-06
Last modified:	2021-03-26
Release date:	2021-03-31
Identifier:	[9-[2-carboxy-5-[(4-methylphenyl)methylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium

OH5

OH5
Name:	(2~{S},4~{R})-4-azanyl-2-methyl-5-phenyl-pentanoic acid
Formula:	C12 H17 N O2
SMILES:	C[CH](C[CH](N)Cc1ccccc1)C(O)=O
InChi:	InChI=1S/C12H17NO2/c1-9(12(14)15)7-11(13)8-10-5-3-2-4-6-10/h2-6,9,11H,7-8,13H2,1H3,(H,14,15)/t9-,11+/m0/s1
Definition date:	2020-03-10
Last modified:	2021-03-26
Release date:	2021-03-31
Identifier:	(2~{S},4~{R})-4-azanyl-2-methyl-5-phenyl-pentanoic acid

OO8

OO8
Name:	[2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]phosphonic acid
Formula:	C15 H16 N O5 P
SMILES:	O[P](O)(=O)c1ccccc1OCC(=O)NCc2ccccc2
InChi:	InChI=1S/C15H16NO5P/c17-15(16-10-12-6-2-1-3-7-12)11-21-13-8-4-5-9-14(13)22(18,19)20/h1-9H,10-11H2,(H,16,17)(H2,18,19,20)
Definition date:	2020-03-24
Last modified:	2021-03-26
Release date:	2021-03-31
Identifier:	[2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]phosphonic acid

OOE

OOE
Name:	2',2'-difluoro-3',3'-cGAMP
Formula:	C20 H22 F2 N10 O11 P2
SMILES:	NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](F)[CH](O[CH]5CO[P](O)(=O)O[CH]4[CH]3F)n6cnc7c(N)ncnc67
InChi:	InChI=1S/C20H22F2N10O11P2/c21-8-12-6(40-18(8)31-4-27-10-14(23)25-3-26-15(10)31)1-38-45(36,37)43-13-7(2-39-44(34,35)42-12)41-19(9(13)22)32-5-28-11-16(32)29-20(24)30-17(11)33/h3-9,12-13,18-19H,1-2H2,(H,34,35)(H,36,37)(H2,23,25,26)(H3,24,29,30,33)/t6-,7-,8-,9-,12-,13-,18-,19-/m1/s1
Synonyms:	9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)- 3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-2-azan yl-1~{H}-purin-6-one
Definition date:	2020-03-24
Last modified:	2021-03-26
Release date:	2021-03-31
Identifier:	9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-2-azanyl-1~{H}-purin-6-one

Q3M

Q3M
Name:	Methyl 2-(acetylamino)-2-deoxy-1-thio-alpha-D-galactopyranose
Formula:	C10 H19 N O4 S
SMILES:	CSC1CC(CO)C(O)C(O)C1NC(C)=O
InChi:	InChI=1S/C10H19NO4S/c1-5(13)11-8-7(16-2)3-6(4-12)9(14)10(8)15/h6-10,12,14-15H,3-4H2,1-2H3,(H,11,13)/t6-,7+,8+,9+,10-/m1/s1
Synonyms:	N-[(1R,2R,3S,4R,6S)-2,3-dihydroxy-4-(hydroxymethyl)-6-(methylsulfanyl)cyclohexyl]acetamide
Definition date:	2019-09-16
Last modified:	2021-03-26
Release date:	2021-03-31
Identifier:	N-[(1R,2R,3S,4R,6S)-2,3-dihydroxy-4-(hydroxymethyl)-6-(methylsulfanyl)cyclohexyl]acetamide

G9R

G9R
Name:	CHLOROPHYLL D ISOMER
Formula:	C54 H70 Mg N4 O6
SMILES:	CCC1=C(C)C2=Cc3n4[Mg][N]5C(=CC1=N2)C(=C6C(=O)[CH](C(=O)OC)C(=C56)C7=NC(=Cc4c(C)c3C=O)[CH](C)[CH]7CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C
InChi:	InChI=1S/C54H71N4O6.Mg/c1-12-38-34(7)42-27-46-40(29-59)36(9)41(56-46)26-43-35(8)39(51(57-43)49-50(54(62)63-11)53(61)48-37(10)44(58-52(48)49)28-45(38)55-42)22-23-47(60)64-25-24-33(6)21-15-20-32(5)19-14-18-31(4)17-13-16-30(2)3
Definition date:	2020-08-07
Last modified:	2021-03-26
Release date:	2021-03-31

GF3

GF3
Name:	spiro[1H-2-benzofuran-3,4'-piperidine]
Formula:	C12 H15 N O
SMILES:	C1CC2(CCN1)OCc3ccccc23
InChi:	InChI=1S/C12H15NO/c1-2-4-11-10(3-1)9-14-12(11)5-7-13-8-6-12/h1-4,13H,5-9H2
Definition date:	2020-08-26
Last modified:	2021-03-26
Release date:	2021-03-31
Identifier:	spiro[1~{H}-2-benzofuran-3,4'-piperidine]

GGF

GGF
Name:	2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-17-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-1~{H}-purin-6-one
Formula:	C20 H22 F2 N10 O12 P2
SMILES:	NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](F)[CH](O[CH]5CO[P](O)(=O)O[CH]4[CH]3F)n6cnc7C(=O)NC(=Nc67)N
InChi:	InChI=1S/C20H22F2N10O12P2/c21-7-11-5(41-17(7)31-3-25-9-13(31)27-19(23)29-15(9)33)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(8(12)22)32-4-26-10-14(32)28-20(24)30-16(10)34/h3-8,11-12,17-18H,1-2H2,(H,35,36)(H,37,38)(H3,23,27,29,33)(H3,24,28,30,34)/t5-,6-,7-,8-,11-,12-,17-,18-/m1/s1
Definition date:	2020-03-20
Last modified:	2021-03-26
Release date:	2021-03-31
Identifier:	2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-17-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-1~{H}-purin-6-one

GTU

GTU
Name:	N-[3-[(4R)-2-azanyl-4-prop-1-ynyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide
Formula:	C20 H16 F N5 O2
SMILES:	CC#C[C]1(CCOC(=N1)N)c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F
InChi:	InChI=1S/C20H16FN5O2/c1-2-7-20(8-9-28-19(23)26-20)15-10-14(4-5-16(15)21)25-18(27)17-6-3-13(11-22)12-24-17/h3-6,10,12H,8-9H2,1H3,(H2,23,26)(H,25,27)/t20-/m0/s1
Definition date:	2020-09-24
Last modified:	2021-03-26
Release date:	2021-03-31
Identifier:	~{N}-[3-[(4~{R})-2-azanyl-4-prop-1-ynyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide

GWR

GWR
Name:	8-(3-chloranylphenoxy)-7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)purine-2,6-dione
Formula:	C22 H20 Cl2 N4 O4
SMILES:	CN1C(=O)N(CCCO)C(=O)c2n(Cc3ccc(Cl)cc3)c(Oc4cccc(Cl)c4)nc12
InChi:	InChI=1S/C22H20Cl2N4O4/c1-26-19-18(20(30)27(22(26)31)10-3-11-29)28(13-14-6-8-15(23)9-7-14)21(25-19)32-17-5-2-4-16(24)12-17/h2,4-9,12,29H,3,10-11,13H2,1H3
Definition date:	2020-09-29
Last modified:	2021-03-26
Release date:	2021-03-31
Identifier:	8-(3-chloranylphenoxy)-7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)purine-2,6-dione

GX0

GX0
Name:	1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole
Formula:	C19 H20 Cl N3
SMILES:	Clc1ccc(Cn2c(CN3CCCC3)nc4ccccc24)cc1
InChi:	InChI=1S/C19H20ClN3/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2
Synonyms:	Clemizole
Definition date:	2020-09-29
Last modified:	2021-03-26
Release date:	2021-03-31
Identifier:	1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole

GX6

GX6
Name:	N-[3-[(9S)-7-azanyl-2,2-bis(fluoranyl)-9-prop-1-ynyl-6-oxa-8-azaspiro[3.5]non-7-en-9-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide
Formula:	C23 H18 F3 N5 O2
SMILES:	CC#C[C]1(N=C(N)OCC12CC(F)(F)C2)c3cc(NC(=O)c4ccc(cn4)C#N)ccc3F
InChi:	InChI=1S/C23H18F3N5O2/c1-2-7-23(21(11-22(25,26)12-21)13-33-20(28)31-23)16-8-15(4-5-17(16)24)30-19(32)18-6-3-14(9-27)10-29-18/h3-6,8,10H,11-13H2,1H3,(H2,28,31)(H,30,32)/t23-/m1/s1
Definition date:	2020-10-01
Last modified:	2021-03-26
Release date:	2021-03-31
Identifier:	~{N}-[3-[(9~{S})-7-azanyl-2,2-bis(fluoranyl)-9-prop-1-ynyl-6-oxa-8-azaspiro[3.5]non-7-en-9-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide

K7F

K7F
Name:	4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)-5-(pyridin-4-yl)pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzamide
Formula:	C31 H31 N7 O2
SMILES:	NC(=O)c1ccc(cc1)CN2CCC(CC2)Nc5nc(Oc3c(cc(cc3C)C#N)C)c(c4ccncc4)cn5
InChi:	InChI=1S/C31H31N7O2/c1-20-15-23(17-32)16-21(2)28(20)40-30-27(24-7-11-34-12-8-24)18-35-31(37-30)36-26-9-13-38(14-10-26)19-22-3-5-25(6-4-22)29(33)39/h3-8,11-12,15-16,18,26H,9-10,13-14,19H2,1-2H3,(H2,33,39)(H,35,36,37)
Definition date:	2020-12-02
Last modified:	2021-03-26
Release date:	2021-03-31
Identifier:	4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)-5-(pyridin-4-yl)pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzamide

XBA

XBA
Name:	7-(cyclopropylmethoxy)-5-fluoro-2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}quinazolin-4(3H)-one
Formula:	C19 H23 F N2 O3 S
SMILES:	C1CC(CCC1SCC3=Nc2cc(cc(c2C(N3)=O)F)OCC4CC4)O
InChi:	InChI=1S/C19H23FN2O3S/c20-15-7-13(25-9-11-1-2-11)8-16-18(15)19(24)22-17(21-16)10-26-14-5-3-12(23)4-6-14/h7-8,11-12,14,23H,1-6,9-10H2,(H,21,22,24)/t12-,14-
Definition date:	2020-12-08
Last modified:	2021-03-19
Release date:	2021-03-24
Identifier:	7-(cyclopropylmethoxy)-5-fluoro-2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}quinazolin-4(3H)-one

TGM

TGM
Name:	4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid
Formula:	C21 H15 N3 O5
SMILES:	c1(nc3ccccn3c1Nc2ccc(c(c2)C(O)=O)C(O)=O)c4c(cccc4)O
InChi:	InChI=1S/C21H15N3O5/c25-16-6-2-1-5-14(16)18-19(24-10-4-3-7-17(24)23-18)22-12-8-9-13(20(26)27)15(11-12)21(28)29/h1-11,22,25H,(H,26,27)(H,28,29)
Definition date:	2020-03-20
Last modified:	2021-03-19
Release date:	2021-03-24
Identifier:	4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid

TGV

TGV
Name:	4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzene-1,2-dicarboxylic acid
Formula:	C20 H14 N4 O4
SMILES:	c2(c(n1ccncc1n2)Nc3cc(C(O)=O)c(C(O)=O)cc3)c4ccccc4
InChi:	InChI=1S/C20H14N4O4/c25-19(26)14-7-6-13(10-15(14)20(27)28)22-18-17(12-4-2-1-3-5-12)23-16-11-21-8-9-24(16)18/h1-11,22H,(H,25,26)(H,27,28)
Definition date:	2020-03-20
Last modified:	2021-03-19
Release date:	2021-03-24
Identifier:	4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzene-1,2-dicarboxylic acid

TYG

TYG
Name:	8-methyl-2-{[(pyridin-4-yl)sulfanyl]methyl}quinazolin-4(3H)-one
Formula:	C15 H13 N3 O S
SMILES:	c1cc3c(c(C)c1)N=C(CSc2ccncc2)NC3=O
InChi:	InChI=1S/C15H13N3OS/c1-10-3-2-4-12-14(10)17-13(18-15(12)19)9-20-11-5-7-16-8-6-11/h2-8H,9H2,1H3,(H,17,18,19)
Definition date:	2020-04-02
Last modified:	2021-03-19
Release date:	2021-03-24
Identifier:	8-methyl-2-{[(pyridin-4-yl)sulfanyl]methyl}quinazolin-4(3H)-one

WJV

WJV
Name:	N-[2-(3,3-dimethylbutoxy)ethyl]-N'-{4-methyl-5-[(pyridin-4-yl)ethynyl]-1,3-thiazol-2-yl}urea
Formula:	C20 H26 N4 O2 S
SMILES:	Cc1nc(NC(NCCOCCC(C)(C)C)=O)sc1C#Cc2ccncc2
InChi:	InChI=1S/C20H26N4O2S/c1-15-17(6-5-16-7-10-21-11-8-16)27-19(23-15)24-18(25)22-12-14-26-13-9-20(2,3)4/h7-8,10-11H,9,12-14H2,1-4H3,(H2,22,23,24,25)
Definition date:	2020-10-30
Last modified:	2021-03-19
Release date:	2021-03-24
Identifier:	N-[2-(3,3-dimethylbutoxy)ethyl]-N'-{4-methyl-5-[(pyridin-4-yl)ethynyl]-1,3-thiazol-2-yl}urea

TZ7

TZ7
Name:	2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}-8-methylquinazolin-4(3H)-one
Formula:	C16 H20 N2 O2 S
SMILES:	c3cc2C(=O)NC(CSC1CCC(CC1)O)=Nc2c(C)c3
InChi:	InChI=1S/C16H20N2O2S/c1-10-3-2-4-13-15(10)17-14(18-16(13)20)9-21-12-7-5-11(19)6-8-12/h2-4,11-12,19H,5-9H2,1H3,(H,17,18,20)/t11-,12-
Definition date:	2020-04-02
Last modified:	2021-03-19
Release date:	2021-03-24
Identifier:	2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}-8-methylquinazolin-4(3H)-one

UG1

UG1
Name:	5-amino-1-(pyridin-4-yl)-1H-imidazole-4-carboxamide
Formula:	C9 H9 N5 O
SMILES:	C(c1ncn(c1N)c2ccncc2)(N)=O
InChi:	InChI=1S/C9H9N5O/c10-8-7(9(11)15)13-5-14(8)6-1-3-12-4-2-6/h1-5H,10H2,(H2,11,15)
Definition date:	2020-05-15
Last modified:	2021-03-19
Release date:	2021-03-24
Identifier:	5-amino-1-(pyridin-4-yl)-1H-imidazole-4-carboxamide

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