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E9X

E9X
Name:	1-[3-[(4-chlorophenyl)-(phenylmethyl)amino]propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Formula:	C21 H27 Cl N6 O
SMILES:	CC1(C)N=C(N)N=C(N)N1OCCCN(Cc2ccccc2)c3ccc(Cl)cc3
InChi:	InChI=1S/C21H27ClN6O/c1-21(2)26-19(23)25-20(24)28(21)29-14-6-13-27(15-16-7-4-3-5-8-16)18-11-9-17(22)10-12-18/h3-5,7-12H,6,13-15H2,1-2H3,(H4,23,24,25,26)
Definition date:	2019-11-28
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	1-[3-[(4-chlorophenyl)-(phenylmethyl)amino]propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine

EA0

EA0
Name:	2-[[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]oxy]-N-(4-chlorophenyl)ethanamide
Formula:	C13 H17 Cl N6 O2
SMILES:	CC1(C)N=C(N)N=C(N)N1OCC(=O)Nc2ccc(Cl)cc2
InChi:	InChI=1S/C13H17ClN6O2/c1-13(2)19-11(15)18-12(16)20(13)22-7-10(21)17-9-5-3-8(14)4-6-9/h3-6H,7H2,1-2H3,(H,17,21)(H4,15,16,18,19)
Definition date:	2019-11-28
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	2-[[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]oxy]-~{N}-(4-chlorophenyl)ethanamide

WG4

WG4
Name:	N-(5-{[(5S)-7-(5-methylimidazo[1,2-a]pyrimidin-7-yl)-2,7-diazaspiro[4.4]nonan-2-yl]methyl}-1,3-thiazol-2-yl)acetamide
Formula:	C20 H25 N7 O S
SMILES:	CC(=O)Nc1sc(cn1)CN5CCC2(CN(CC2)c4cc(C)n3ccnc3n4)C5
InChi:	InChI=1S/C20H25N7OS/c1-14-9-17(24-18-21-5-8-27(14)18)26-7-4-20(13-26)3-6-25(12-20)11-16-10-22-19(29-16)23-15(2)28/h5,8-10H,3-4,6-7,11-13H2,1-2H3,(H,22,23,28)/t20-/m0/s1
Definition date:	2020-10-28
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	N-(5-{[(5S)-7-(5-methylimidazo[1,2-a]pyrimidin-7-yl)-2,7-diazaspiro[4.4]nonan-2-yl]methyl}-1,3-thiazol-2-yl)acetamide

EBR

EBR
Name:	[(4Z)-4-[[(Z)-2-(4-hydroxyphenyl)ethylideneamino]methylidene]-6-methyl-5-oxidanyl-1H-pyridin-3-yl]methyl dihydrogen phosphate
Formula:	C16 H19 N2 O6 P
SMILES:	CC1=C(O)C(=CN=CCc2ccc(O)cc2)C(=CN1)CO[P](O)(O)=O
InChi:	InChI=1S/C16H19N2O6P/c1-11-16(20)15(13(8-18-11)10-24-25(21,22)23)9-17-7-6-12-2-4-14(19)5-3-12/h2-5,7-9,18-20H,6,10H2,1H3,(H2,21,22,23)/b15-9-,17-7-
Definition date:	2019-12-06
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	[(4~{Z})-4-[[(~{Z})-2-(4-hydroxyphenyl)ethylideneamino]methylidene]-6-methyl-5-oxidanyl-1~{H}-pyridin-3-yl]methyl dihydrogen phosphate

X1A

X1A
Name:	N-(5-{[6-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,6-diazaspiro[3.4]octan-2-yl]methyl}-1,3-thiazol-2-yl)acetamide
Formula:	C18 H22 N8 O S
SMILES:	C(Nc1sc(cn1)CN2CC5(C2)CN(c3n4c(nc(c3)C)ncn4)CC5)(=O)C
InChi:	InChI=1S/C18H22N8OS/c1-12-5-15(26-16(22-12)20-11-21-26)25-4-3-18(10-25)8-24(9-18)7-14-6-19-17(28-14)23-13(2)27/h5-6,11H,3-4,7-10H2,1-2H3,(H,19,23,27)
Definition date:	2020-11-20
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	N-(5-{[6-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,6-diazaspiro[3.4]octan-2-yl]methyl}-1,3-thiazol-2-yl)acetamide

X3P

X3P
Name:	[(2~{R})-1-octanoyloxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propan-2-yl] nonanoate
Formula:	C25 H51 N O8 P
SMILES:	CCCCCCCCC(=O)O[CH](COC(=O)CCCCCCC)CO[P](O)(=O)OCC[N](C)(C)C
InChi:	InChI=1S/C25H51NO8P/c1-6-8-10-12-14-16-18-25(28)34-23(21-31-24(27)17-15-13-11-9-7-2)22-33-35(29,30)32-20-19-26(3,4)5/h23H,6-22H2,1-5H3,(H,29,30)/t23-/m1/s1
Definition date:	2020-11-24
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	[(2~{R})-1-octanoyloxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propan-2-yl] nonanoate

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

FFU

FFU
Name:	N-(4,4-dimethylcyclohexyl)-4,6-bis(fluoranyl)-1H-indole-2-carboxamide
Formula:	C17 H20 F2 N2 O
SMILES:	CC1(C)CCC(CC1)NC(=O)c2[nH]c3cc(F)cc(F)c3c2
InChi:	InChI=1S/C17H20F2N2O/c1-17(2)5-3-11(4-6-17)20-16(22)15-9-12-13(19)7-10(18)8-14(12)21-15/h7-9,11,21H,3-6H2,1-2H3,(H,20,22)
Definition date:	2020-05-11
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	~{N}-(4,4-dimethylcyclohexyl)-4,6-bis(fluoranyl)-1~{H}-indole-2-carboxamide

FG0

FG0
Name:	1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
Formula:	C20 H23 N O3 S
SMILES:	C1COc2cc(CN3CCC4(CC3)OCCc5sccc45)ccc2O1
InChi:	InChI=1S/C20H23NO3S/c1-2-17-18(23-11-10-22-17)13-15(1)14-21-7-5-20(6-8-21)16-4-12-25-19(16)3-9-24-20/h1-2,4,12-13H,3,5-11,14H2
Definition date:	2020-05-11
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

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

G2O

G2O
Name:	Chlorophyll A ester
Formula:	C55 H70 Mg N4 O5
SMILES:	CCC1=C(C)C2=NC1=Cc3n4[Mg][N]5C(=CC6=NC(=C7[CH](C(=O)OC)C(=O)c(c3C)c47)[CH](CCC(=O)OCC=C(C)CC=C[CH](C)CCC[CH](C)CCCC(C)C)[CH]6C)C(=C(C=C)C5=C2)C
InChi:	InChI=1S/C55H71N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42
Definition date:	2020-07-09
Last modified:	2020-11-20
Release date:	2020-11-25

GS0

GS0
Name:	Bacteriochlorophyll A isomer
Formula:	C55 H74 Mg N4 O6
SMILES:	CC[CH]1[CH](C)C2=Cc3n4[Mg][N]5C(=CC1=N2)C(=C6C(=O)[CH](C(=O)OC)C(=C56)C7=NC(=Cc4c(C)c3C(C)=O)[CH](C)[CH]7CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C
InChi:	InChI=1S/C55H75N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3
Definition date:	2020-08-07
Last modified:	2020-11-20
Release date:	2020-11-25

GT3

GT3
Name:	2-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-N-[(2R,3R)-1,3-bis(oxidanyl)butan-2-yl]ethanamide
Formula:	C11 H16 N6 O4
SMILES:	C[CH](O)[CH](CO)NC(=O)Cn1cnc2C(=O)NC(=Nc12)N
InChi:	InChI=1S/C11H16N6O4/c1-5(19)6(3-18)14-7(20)2-17-4-13-8-9(17)15-11(12)16-10(8)21/h4-6,18-19H,2-3H2,1H3,(H,14,20)(H3,12,15,16,21)/t5-,6-/m1/s1
Definition date:	2020-04-03
Last modified:	2020-11-20
Release date:	2020-11-25
Identifier:	2-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-~{N}-[(2~{R},3~{R})-1,3-bis(oxidanyl)butan-2-yl]ethanamide

ORS

ORS
Name:	dichloro[(1,2,3,4,5-eta)-pentamethylcyclopentadienyl]rhodium
Formula:	C10 H15 Cl2 Rh
SMILES:	C12(C)C3(C)C4(C)C5(C)C1(C)[Rh]2345(Cl)Cl
InChi:	InChI=1S/C10H15.2ClH.Rh/c1-6-7(2)9(4)10(5)8(6)3
Definition date:	2019-07-03
Last modified:	2020-11-20
Release date:	2020-11-25
Identifier:	dichloro[(1,2,3,4,5-eta)-pentamethylcyclopentadienyl]rhodium

OT1

OT1
Name:	2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole
Formula:	C19 H25 Cl Ir N2
SMILES:	CC1C(C)C(C)C(C)C1C.Cn2c([Ir]Cl)[n](C)c3ccccc23
InChi:	InChI=1S/C10H15.C9H10N2.ClH.Ir/c1-6-7(2)9(4)10(5)8(6)3
Definition date:	2019-07-03
Last modified:	2020-11-20
Release date:	2020-11-25
Identifier:	2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole

N9N

N9N
Name:	(4-hydroxyphenyl)-[2,3,4-tris(oxidanyl)phenyl]methanone
Formula:	C13 H10 O5
SMILES:	Oc1ccc(cc1)C(=O)c2ccc(O)c(O)c2O
InChi:	InChI=1S/C13H10O5/c14-8-3-1-7(2-4-8)11(16)9-5-6-10(15)13(18)12(9)17/h1-6,14-15,17-18H
Definition date:	2019-11-19
Last modified:	2020-11-20
Release date:	2020-11-25
Identifier:	(4-hydroxyphenyl)-[2,3,4-tris(oxidanyl)phenyl]methanone

QMH

QMH
Name:	(2~{S})-2-[(4-hexoxyphenyl)carbonylamino]-3-methyl-butanoic acid
Formula:	C18 H27 N O4
SMILES:	CCCCCCOc1ccc(cc1)C(=O)N[CH](C(C)C)C(O)=O
InChi:	InChI=1S/C18H27NO4/c1-4-5-6-7-12-23-15-10-8-14(9-11-15)17(20)19-16(13(2)3)18(21)22/h8-11,13,16H,4-7,12H2,1-3H3,(H,19,20)(H,21,22)/t16-/m0/s1
Definition date:	2020-07-01
Last modified:	2020-11-20
Release date:	2020-11-25
Identifier:	(2~{S})-2-[(4-hexoxyphenyl)carbonylamino]-3-methyl-butanoic acid

QN4

QN4
Name:	2-(5-chloro-6-oxopyridazin-1(6H)-yl)-N-(4-methyl-3-sulfamoylphenyl)acetamide
Formula:	C13 H13 Cl N4 O4 S
SMILES:	C=2C=NN(CC(Nc1ccc(c(c1)S(N)(=O)=O)C)=O)C(C=2Cl)=O
InChi:	InChI=1S/C13H13ClN4O4S/c1-8-2-3-9(6-11(8)23(15,21)22)17-12(19)7-18-13(20)10(14)4-5-16-18/h2-6H,7H2,1H3,(H,17,19)(H2,15,21,22)
Definition date:	2019-11-22
Last modified:	2020-11-20
Release date:	2020-11-25
Identifier:	2-(5-chloro-6-oxopyridazin-1(6H)-yl)-N-(4-methyl-3-sulfamoylphenyl)acetamide

QWP

QWP
Name:	mithramycin
Formula:	C52 H76 O24
SMILES:	C1C(C)(O)C(O)C(C)OC1OC2CC(OC(C2O)C)OC3CC(OC(C3O)C)OC4C(Cc5c(C4=O)c(O)c6c(c5)cc(c(c6O)C)OC7CC(C(C(O7)C)O)OC8OC(C)C(O)C(C8)O)C(C(=O)C(C(C)O)O)OC
InChi:	InChI=1S/C52H76O24/c1-18-29(72-34-14-30(43(58)21(4)68-34)73-33-13-28(54)42(57)20(3)67-33)12-26-10-25-11-27(49(66-9)48(63)41(56)19(2)53)50(47(62)39(25)46(61)38(26)40(18)55)76-36-16-31(44(59)23(6)70-36)74-35-15-32(45(60)22(5)69-35)75-37-17-52(8,65)51(64)24(7)71-37/h10,12,19-24,27-28,30-37,41-45,49-51,53-61,64-65H,11,13-17H2,1-9H3/t19-,20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36+,37+,41+,42-,43-,44-,45+,49+,50+,51-,52+/m1/s1
Synonyms:	(1S)-5-deoxy-1-C-[(2S,3S)-7-{[2,6-dideoxy-3-O-(2,6-dideoxy-beta-D-arabino-hexopyranosyl)-beta-D-arabino-hexopyranosyl]oxy}-3-{[2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranosyl-(1->
Definition date:	2020-01-08
Last modified:	2020-11-20
Release date:	2020-11-25
Identifier:	(1S)-5-deoxy-1-C-[(2S,3S)-7-{[2,6-dideoxy-3-O-(2,6-dideoxy-beta-D-arabino-hexopyranosyl)-beta-D-arabino-hexopyranosyl]oxy}-3-{[2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-lyxo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-arabino-hexopyranosyl]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-1-O-methyl-D-xylulose

R1N

R1N
Name:	2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-rhodapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole
Formula:	C19 H25 Cl N2 Rh
SMILES:	CC1C(C)C(C)C(C)C1C.Cn2c([Rh]Cl)[n](C)c3ccccc23
InChi:	InChI=1S/C10H15.C9H10N2.ClH.Rh/c1-6-7(2)9(4)10(5)8(6)3
Definition date:	2019-07-03
Last modified:	2020-11-20
Release date:	2020-11-25
Identifier:	2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-rhodapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole

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

FJ0

FJ0
Name:	2-(2-methylpyridin-4-yl)-N-[2-morpholin-4-yl-5-[(3R)-3-oxidanylpyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide
Formula:	C24 H25 N7 O5
SMILES:	Cc1cc(ccn1)c2occ(n2)C(=O)Nc3cc4oc(nc4nc3N5CC[CH](O)C5)N6CCOCC6
InChi:	InChI=1S/C24H25N7O5/c1-14-10-15(2-4-25-14)23-27-18(13-35-23)22(33)26-17-11-19-20(28-21(17)31-5-3-16(32)12-31)29-24(36-19)30-6-8-34-9-7-30/h2,4,10-11,13,16,32H,3,5-9,12H2,1H3,(H,26,33)/t16-/m1/s1
Definition date:	2020-05-14
Last modified:	2020-11-20
Release date:	2020-11-25
Identifier:	2-(2-methylpyridin-4-yl)-~{N}-[2-morpholin-4-yl-5-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide

FJ9

FJ9
Name:	N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-4-yl-pyridine-2-carboxamide
Formula:	C22 H19 N5 O3
SMILES:	O=C(Nc1ccc2nc(oc2c1)N3CCOCC3)c4cccc(n4)c5ccncc5
InChi:	InChI=1S/C22H19N5O3/c28-21(19-3-1-2-17(25-19)15-6-8-23-9-7-15)24-16-4-5-18-20(14-16)30-22(26-18)27-10-12-29-13-11-27/h1-9,14H,10-13H2,(H,24,28)
Definition date:	2020-05-14
Last modified:	2020-11-20
Release date:	2020-11-25
Identifier:	~{N}-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-4-yl-pyridine-2-carboxamide

K2R

K2R
Name:	3-[3-[9-[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]phenyl]propanoic acid
Formula:	C19 H21 N4 O9 P
SMILES:	O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c2ncnc3c4cccc(CCC(O)=O)c4
InChi:	InChI=1S/C19H21N4O9P/c24-13(25)5-4-10-2-1-3-11(6-10)14-15-18(21-8-20-14)23(9-22-15)19-17(27)16(26)12(32-19)7-31-33(28,29)30/h1-3,6,8-9,12,16-17,19,26-27H,4-5,7H2,(H,24,25)(H2,28,29,30)/t12-,16-,17-,19-/m1/s1
Definition date:	2020-05-25
Last modified:	2020-11-20
Release date:	2020-11-25
Identifier:	3-[3-[9-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]phenyl]propanoic acid

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