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MU8

MU8
Name:	(2~{S},4~{R})-1-[[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-6-yl]carbonyl]-~{N}-(3-chlorophenyl)-4-phenyl-pyrrolidine-2-carboxamide
Formula:	C26 H24 Cl N3 O3
SMILES:	N[CH]1COc2cc(ccc12)C(=O)N3C[CH](C[CH]3C(=O)Nc4cccc(Cl)c4)c5ccccc5
InChi:	InChI=1S/C26H24ClN3O3/c27-19-7-4-8-20(13-19)29-25(31)23-11-18(16-5-2-1-3-6-16)14-30(23)26(32)17-9-10-21-22(28)15-33-24(21)12-17/h1-10,12-13,18,22-23H,11,14-15,28H2,(H,29,31)/t18-,22+,23-/m0/s1
Definition date:	2019-10-23
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	(2~{S},4~{R})-1-[[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-6-yl]carbonyl]-~{N}-(3-chlorophenyl)-4-phenyl-pyrrolidine-2-carboxamide

SKV

SKV
Name:	2-fluoranyl-~{N}-[(2~{R})-1-[1-(2~{H}-indazol-5-yl)-3-methyl-2,4-bis(oxidanylidene)-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-5-(trifluoromethyl)benzamide
Formula:	C28 H28 F4 N6 O4
SMILES:	CC(C)[CH](NC(=O)c1cc(ccc1F)C(F)(F)F)C(=O)N2CCC3(CC2)N(C(=O)N(C)C3=O)c4ccc5n[nH]cc5c4
InChi:	InChI=1S/C28H28F4N6O4/c1-15(2)22(34-23(39)19-13-17(28(30,31)32)4-6-20(19)29)24(40)37-10-8-27(9-11-37)25(41)36(3)26(42)38(27)18-5-7-21-16(12-18)14-33-35-21/h4-7,12-15,22H,8-11H2,1-3H3,(H,33,35)(H,34,39)/t22-/m1/s1
Definition date:	2020-03-10
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	2-fluoranyl-~{N}-[(2~{R})-1-[1-(2~{H}-indazol-5-yl)-3-methyl-2,4-bis(oxidanylidene)-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-5-(trifluoromethyl)benzamide

OK8

OK8
Name:	(2~{S})-2-[[5-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]car bonylamino]butanedioic acid
Formula:	C13 H19 N4 O12 P
SMILES:	Nc1n(cnc1C(=O)N[CH](CC(O)=O)C(O)=O)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
InChi:	InChI=1S/C13H19N4O12P/c14-10-7(11(22)16-4(13(23)24)1-6(18)19)15-3-17(10)12-9(21)8(20)5(29-12)2-28-30(25,26)27/h3-5,8-9,12,20-21H,1-2,14H2,(H,16,22)(H,18,19)(H,23,24)(H2,25,26,27)/t4-,5+,8+,9+,12+/m0/s1
Synonyms:	SAICAR
Definition date:	2020-03-17
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	(2~{S})-2-[[5-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]carbonylamino]butanedioic acid

I35

I35
Name:	[(2~{R})-2-butanoyloxy-3-[oxidanyl-[(2~{R},3~{R},5~{S},6~{R})-2,4,6-tris(oxidanyl)-3,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] butanoate
Formula:	C17 H33 O19 P3
SMILES:	CCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O[P](O)(O)=O)[CH](O)[CH](O[P](O)(O)=O)[CH]1O)OC(=O)CCC
InChi:	InChI=1S/C17H33O19P3/c1-3-5-10(18)31-7-9(33-11(19)6-4-2)8-32-39(29,30)36-17-13(21)15(34-37(23,24)25)12(20)16(14(17)22)35-38(26,27)28/h9,12-17,20-22H,3-8H2,1-2H3,(H,29,30)(H2,23,24,25)(H2,26,27,28)/t9-,12-,13-,14-,15-,16+,17-/m1/s1
Definition date:	2019-08-16
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	[(2~{R})-2-butanoyloxy-3-[oxidanyl-[(2~{R},3~{R},5~{S},6~{R})-2,4,6-tris(oxidanyl)-3,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] butanoate

BWB

BWB
Name:	(2~{S})-2-azanyl-3-[(2~{S},5~{R})-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-propanoic acid
Formula:	C8 H15 N O7
SMILES:	N[CH](COC1OCC(O)C(O)C1O)C(O)=O
InChi:	InChI=1S/C8H15NO7/c9-3(7(13)14)1-15-8-6(12)5(11)4(10)2-16-8/h3-6,8,10-12H,1-2,9H2,(H,13,14)/t3-,4?,5?,6?,8?/m0/s1
Definition date:	2017-10-20
Last modified:	2020-07-03
Release date:	2018-10-31
Identifier:	(2~{S})-2-azanyl-3-[(2~{S},5~{R})-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-propanoic acid

DVL

DVL
Name:	3-(1,3-benzothiazol-2-yl)-2-[[4-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]methoxy]-5-methyl-benzaldehyde
Formula:	C28 H27 N O8 S
SMILES:	Cc1cc(C=O)c(OCc2ccc(O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)cc2)c(c1)c4sc5ccccc5n4
InChi:	InChI=1S/C28H27NO8S/c1-15-10-17(12-30)26(19(11-15)27-29-20-4-2-3-5-22(20)38-27)35-14-16-6-8-18(9-7-16)36-28-25(34)24(33)23(32)21(13-31)37-28/h2-12,21,23-25,28,31-34H,13-14H2,1H3/t21-,23+,24+,25-,28-/m1/s1
Definition date:	2019-09-09
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	3-(1,3-benzothiazol-2-yl)-2-[[4-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]methoxy]-5-methyl-benzaldehyde

EXR

EXR
Name:	(2R)-2-azanyl-3-(1-benzothiophen-3-yl)propanoic acid
Formula:	C11 H11 N O2 S
SMILES:	N[CH](Cc1csc2ccccc12)C(O)=O
InChi:	InChI=1S/C11H11NO2S/c12-9(11(13)14)5-7-6-15-10-4-2-1-3-8(7)10/h1-4,6,9H,5,12H2,(H,13,14)/t9-/m1/s1
Synonyms:	3-(3-Benzothienyl)-D-alanine
Definition date:	2020-02-17
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	(2~{R})-2-azanyl-3-(1-benzothiophen-3-yl)propanoic acid

FE6

FE6
Name:	1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine
Formula:	C12 H8 Br Cl F N5
SMILES:	Nc1nc(Cl)c2cnn(Cc3ccc(Br)cc3F)c2n1
InChi:	InChI=1S/C12H8BrClFN5/c13-7-2-1-6(9(15)3-7)5-20-11-8(4-17-20)10(14)18-12(16)19-11/h1-4H,5H2,(H2,16,18,19)
Definition date:	2020-05-03
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine

FEU

FEU
Name:	4-chloranyl-1-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine
Formula:	C14 H11 Cl F3 N5 O
SMILES:	COc1cc(ccc1Cn2ncc3c(Cl)nc(N)nc23)C(F)(F)F
InChi:	InChI=1S/C14H11ClF3N5O/c1-24-10-4-8(14(16,17)18)3-2-7(10)6-23-12-9(5-20-23)11(15)21-13(19)22-12/h2-5H,6H2,1H3,(H2,19,21,22)
Definition date:	2020-05-03
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	4-chloranyl-1-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine

D6R

D6R
Name:	6,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one
Formula:	C18 H15 N O4
SMILES:	COc1ccc2Oc3c(OC)ccc4C(=O)N(C)C(=Cc2c1)c34
InChi:	InChI=1S/C18H15NO4/c1-19-13-9-10-8-11(21-2)4-6-14(10)23-17-15(22-3)7-5-12(16(13)17)18(19)20/h4-9H,1-3H3
Definition date:	2019-07-12
Last modified:	2020-07-03
Release date:	2020-07-08

D6U

D6U
Name:	16-methoxy-11-methyl-6-[(pyridin-2-yl)methoxy]-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one
Formula:	C23 H18 N2 O4
SMILES:	COc1ccc2C(=O)N(C)C3=Cc4cc(OCc5ccccn5)ccc4Oc1c23
InChi:	InChI=1S/C23H18N2O4/c1-25-18-12-14-11-16(28-13-15-5-3-4-10-24-15)6-8-19(14)29-22-20(27-2)9-7-17(21(18)22)23(25)26/h3-12H,13H2,1-2H3
Definition date:	2019-07-12
Last modified:	2020-07-03
Release date:	2020-07-08

D7F

D7F
Name:	6-[2-(diethylamino)ethoxy]-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one
Formula:	C23 H26 N2 O4
SMILES:	CCN(CC)CCOc1ccc2Oc3c(OC)ccc4C(=O)N(C)C(=Cc2c1)c34
InChi:	InChI=1S/C23H26N2O4/c1-5-25(6-2)11-12-28-16-7-9-19-15(13-16)14-18-21-17(23(26)24(18)3)8-10-20(27-4)22(21)29-19/h7-10,13-14H,5-6,11-12H2,1-4H3
Definition date:	2019-07-12
Last modified:	2020-07-03
Release date:	2020-07-08

D7L

D7L
Name:	6-hydroxy-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one
Formula:	C17 H13 N O4
SMILES:	COc1ccc2C(=O)N(C)C3=Cc4cc(O)ccc4Oc1c23
InChi:	InChI=1S/C17H13NO4/c1-18-12-8-9-7-10(19)3-5-13(9)22-16-14(21-2)6-4-11(15(12)16)17(18)20/h3-8,19H,1-2H3
Definition date:	2019-07-12
Last modified:	2020-07-03
Release date:	2020-07-08

D7R

D7R
Name:	6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(methylsulfonylmethyl)pyridin-3-yl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one
Formula:	C20 H16 F2 N4 O4 S
SMILES:	Cc1cc(n2C=NNC(=O)c12)c3cc(C[S](C)(=O)=O)cnc3Oc4ccc(F)cc4F
InChi:	InChI=1S/C20H16F2N4O4S/c1-11-5-16(26-10-24-25-19(27)18(11)26)14-6-12(9-31(2,28)29)8-23-20(14)30-17-4-3-13(21)7-15(17)22/h3-8,10H,9H2,1-2H3,(H,25,27)
Definition date:	2019-07-12
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(methylsulfonylmethyl)pyridin-3-yl]-8-methyl-2~{H}-pyrrolo[1,2-d][1,2,4]triazin-1-one

D7U

D7U
Name:	6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(methylsulfonylmethyl)pyridin-3-yl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
Formula:	C21 H17 F2 N3 O4 S
SMILES:	Cc1cc(n2C=CNC(=O)c12)c3cc(C[S](C)(=O)=O)cnc3Oc4ccc(F)cc4F
InChi:	InChI=1S/C21H17F2N3O4S/c1-12-7-17(26-6-5-24-20(27)19(12)26)15-8-13(11-31(2,28)29)10-25-21(15)30-18-4-3-14(22)9-16(18)23/h3-10H,11H2,1-2H3,(H,24,27)
Definition date:	2019-07-12
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(methylsulfonylmethyl)pyridin-3-yl]-8-methyl-2~{H}-pyrrolo[1,2-a]pyrazin-1-one

D7X

D7X
Name:	N-[3-(8-methyl-1-oxidanylidene-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxy-phenyl]methanesulfonamide
Formula:	C21 H19 N3 O4 S
SMILES:	Cc1cc(n2C=CNC(=O)c12)c3cc(N[S](C)(=O)=O)ccc3Oc4ccccc4
InChi:	InChI=1S/C21H19N3O4S/c1-14-12-18(24-11-10-22-21(25)20(14)24)17-13-15(23-29(2,26)27)8-9-19(17)28-16-6-4-3-5-7-16/h3-13,23H,1-2H3,(H,22,25)
Definition date:	2019-07-16
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	~{N}-[3-(8-methyl-1-oxidanylidene-2~{H}-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxy-phenyl]methanesulfonamide

D89

D89
Name:	6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(ethylsulfonylmethyl)pyridin-3-yl]-8-methyl-4H-pyrrolo[1,2-a]pyrazin-1-one
Formula:	C22 H19 F2 N3 O4 S
SMILES:	CC[S](=O)(=O)Cc1cnc(Oc2ccc(F)cc2F)c(c1)c3cc(C)c4n3CC=NC4=O
InChi:	InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)12-14-9-16(18-8-13(2)20-21(28)25-6-7-27(18)20)22(26-11-14)31-19-5-4-15(23)10-17(19)24/h4-6,8-11H,3,7,12H2,1-2H3
Definition date:	2019-07-16
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(ethylsulfonylmethyl)pyridin-3-yl]-8-methyl-4~{H}-pyrrolo[1,2-a]pyrazin-1-one

D8F

D8F
Name:	(4-nitrophenyl) hexanoate
Formula:	C12 H15 N O4
SMILES:	CCCCCC(=O)Oc1ccc(cc1)[N+]([O-])=O
InChi:	InChI=1S/C12H15NO4/c1-2-3-4-5-12(14)17-11-8-6-10(7-9-11)13(15)16/h6-9H,2-5H2,1H3
Definition date:	2019-07-17
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	(4-nitrophenyl) hexanoate

D9C

D9C
Name:	4-ethoxy-5,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one
Formula:	C20 H19 N O5
SMILES:	CCOc1c(OC)ccc2C=C3N(C)C(=O)c4ccc(OC)c(Oc12)c34
InChi:	InChI=1S/C20H19NO5/c1-5-25-19-15(24-4)8-6-11-10-13-16-12(20(22)21(13)2)7-9-14(23-3)18(16)26-17(11)19/h6-10H,5H2,1-4H3
Definition date:	2019-07-24
Last modified:	2020-07-03
Release date:	2020-07-08

FN3

FN3
Name:	[(1S)-3-methyl-1-[[(2S)-3-phenyl-2-(pyrazin-2-ylcarbonylamino)propanoyl]amino]butyl]boronic acid
Formula:	C19 H25 B N4 O4
SMILES:	CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)c2cnccn2)B(O)O
InChi:	InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17+/m0/s1
Definition date:	2020-06-04
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	[(1~{S})-3-methyl-1-[[(2~{S})-3-phenyl-2-(pyrazin-2-ylcarbonylamino)propanoyl]amino]butyl]boronic acid

G2B

G2B
Name:	1-[(2~{R},3~{S})-2-azanyl-3-oxidanyl-butyl]urea
Formula:	C5 H13 N3 O2
SMILES:	C[CH](O)[CH](N)CNC(N)=O
InChi:	InChI=1S/C5H13N3O2/c1-3(9)4(6)2-8-5(7)10/h3-4,9H,2,6H2,1H3,(H3,7,8,10)/t3-,4+/m0/s1
Definition date:	2018-08-22
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	1-[(2~{R},3~{S})-2-azanyl-3-oxidanyl-butyl]urea

GN3

GN3
Name:	[[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid
Formula:	C10 H18 N6 O16 P4
SMILES:	NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O[P](O)(=O)N[P](O)(O)=O)[CH]3O
InChi:	InChI=1S/C10H18N6O16P4/c11-10-13-7-4(8(18)14-10)12-2-16(7)9-5(17)6(31-34(22,23)15-33(19,20)21)3(30-9)1-29-36(27,28)32-35(24,25)26/h2-3,5-6,9,17H,1H2,(H,27,28)(H2,24,25,26)(H3,11,13,14,18)(H4,15,19,20,21,22,23)/t3-,5-,6-,9-/m1/s1
Definition date:	2019-06-24
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	[[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid

58A

58A
Name:	5'-O-[(R)-{[(S)-{(2R)-2,3-bis[(9E)-octadec-9-enoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine
Formula:	C48 H85 N3 O15 P2
SMILES:	O=C1N(C=CC(=N1)N)C2OC(C(C2O)O)COP(=O)(O)OP(O)(OCC(COC(CCCCCCCC=CCCCCCCCC)=O)OC(CCCCCCCC=[C@H]CCCCCCCC)=O)=O
InChi:	InChI=1S/C48H85N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(52)61-37-40(64-44(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h17-20,35-36,40-41,45-47,54-55H,3-16,21-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/b19-17+,20-18+/t40-,41-,45-,46-,47-/m1/s1
Synonyms:	cytidinediphosphate-dioleoylglycerol
Definition date:	2015-08-19
Last modified:	2020-07-02
Release date:	2015-11-04
Identifier:	5'-O-[(R)-{[(S)-{(2R)-2,3-bis[(9E)-octadec-9-enoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine

GXV

GXV
Name:	L-glyceraldehyde
Formula:	C3 H6 O3
SMILES:	OCC(O)C=O
InChi:	InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m1/s1
Synonyms:	Glyceraldehyde
Definition date:	2014-03-18
Last modified:	2020-06-29
Release date:	2014-12-03
Identifier:	(2S)-2,3-dihydroxypropanal

3GR

3GR
Name:	D-Glyceraldehyde
Formula:	C3 H6 O3
SMILES:	C(O)C(O)C=O
InChi:	InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1
Synonyms:	GLYCERALDEHYDE
Definition date:	2004-07-19
Last modified:	2020-06-29
Identifier:	(2R)-2,3-dihydroxypropanal

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