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IC5

IC5
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate
Formula:	C11 H18 N5 O11 P2
SMILES:	Cn1c[n+]([CH]2O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O)c3N=C(N)NC(=O)c13
InChi:	InChI=1S/C11H17N5O11P2/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(26-10)2-25-29(23,24)27-28(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H5-,12,13,14,19,20,21,22,23,24)/p+1/t4-,6-,7-,10-/m1/s1
Definition date:	2022-03-09
Last modified:	2022-08-22
Release date:	2022-05-11
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-9-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate

IDW

IDW
Name:	~{N}-[6-methyl-2-[(2~{S})-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
Formula:	C20 H20 N8 O S
SMILES:	Cc1cc(Nc2sccn2)nc(n1)N3CCC[CH]3c4onc(c4)c5nccnc5C
InChi:	InChI=1S/C20H20N8OS/c1-12-10-17(26-20-23-7-9-30-20)25-19(24-12)28-8-3-4-15(28)16-11-14(27-29-16)18-13(2)21-5-6-22-18/h5-7,9-11,15H,3-4,8H2,1-2H3,(H,23,24,25,26)/t15-/m0/s1
Definition date:	2022-03-11
Last modified:	2022-08-22
Release date:	2022-08-17
Identifier:	~{N}-[6-methyl-2-[(2~{S})-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine

IF3

IF3
Name:	~{N}2,~{N}6,9-trimethylpurine-2,6-diamine
Formula:	C8 H12 N6
SMILES:	CNc1nc(NC)c2ncn(C)c2n1
InChi:	InChI=1S/C8H12N6/c1-9-6-5-7(14(3)4-11-5)13-8(10-2)12-6/h4H,1-3H3,(H2,9,10,12,13)
Definition date:	2022-03-16
Last modified:	2022-08-22
Release date:	2022-03-23
Identifier:	~{N}2,~{N}6,9-trimethylpurine-2,6-diamine

IFZ

IFZ
Name:	3-bromanyl-~{N}-methyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine
Formula:	C6 H6 Br N5
SMILES:	CNc1ncnc2c(Br)[nH]nc12
InChi:	InChI=1S/C6H6BrN5/c1-8-6-4-3(9-2-10-6)5(7)12-11-4/h2H,1H3,(H,11,12)(H,8,9,10)
Definition date:	2022-03-18
Last modified:	2022-08-22
Release date:	2022-03-30
Identifier:	3-bromanyl-~{N}-methyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine

IGJ

IGJ
Name:	9-[(3~{R},4~{R})-4-fluoranylpyrrolidin-3-yl]-7-methyl-2-[(7-methylquinolin-6-yl)amino]purin-8-one
Formula:	C20 H20 F N7 O
SMILES:	CN1C(=O)N([CH]2CNC[CH]2F)c3nc(Nc4cc5cccnc5cc4C)ncc13
InChi:	InChI=1S/C20H20FN7O/c1-11-6-15-12(4-3-5-23-15)7-14(11)25-19-24-10-17-18(26-19)28(20(29)27(17)2)16-9-22-8-13(16)21/h3-7,10,13,16,22H,8-9H2,1-2H3,(H,24,25,26)/t13-,16-/m1/s1
Definition date:	2022-03-18
Last modified:	2022-08-22
Release date:	2022-07-13
Identifier:	9-[(3~{R},4~{R})-4-fluoranylpyrrolidin-3-yl]-7-methyl-2-[(7-methylquinolin-6-yl)amino]purin-8-one

IGT

IGT
Name:	5-azanyl-3,6-dimethyl-1H-pyrimidine-2,4-dione
Formula:	C6 H9 N3 O2
SMILES:	CN1C(=O)NC(=C(N)C1=O)C
InChi:	InChI=1S/C6H9N3O2/c1-3-4(7)5(10)9(2)6(11)8-3/h7H2,1-2H3,(H,8,11)
Definition date:	2022-03-21
Last modified:	2022-08-22
Release date:	2022-03-30
Identifier:	5-azanyl-3,6-dimethyl-1~{H}-pyrimidine-2,4-dione

IHF

IHF
Name:	5-azanyl-6-ethyl-1H-pyrimidine-2,4-dione
Formula:	C6 H9 N3 O2
SMILES:	CCC1=C(N)C(=O)NC(=O)N1
InChi:	InChI=1S/C6H9N3O2/c1-2-3-4(7)5(10)9-6(11)8-3/h2,7H2,1H3,(H2,8,9,10,11)
Definition date:	2022-03-21
Last modified:	2022-08-22
Release date:	2022-03-30
Identifier:	5-azanyl-6-ethyl-1~{H}-pyrimidine-2,4-dione

IHR

IHR
Name:	~{N}-cyclopropyl-3-methyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine
Formula:	C9 H11 N5
SMILES:	Cc1[nH]nc2c(NC3CC3)ncnc12
InChi:	InChI=1S/C9H11N5/c1-5-7-8(14-13-5)9(11-4-10-7)12-6-2-3-6/h4,6H,2-3H2,1H3,(H,13,14)(H,10,11,12)
Definition date:	2022-03-21
Last modified:	2022-08-22
Release date:	2022-03-30
Identifier:	~{N}-cyclopropyl-3-methyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine

IOO

IOO
Name:	N7-(3,4-difluorobenzyl) guanosine 5'-monophosphate
Formula:	C17 H19 F2 N5 O8 P
SMILES:	NC1=Nc2n(c[n+](Cc3ccc(F)c(F)c3)c2C(=O)N1)[CH]4O[CH](CO[P](O)(O)=O)[CH](O)[CH]4O
InChi:	InChI=1S/C17H18F2N5O8P/c18-8-2-1-7(3-9(8)19)4-23-6-24(14-11(23)15(27)22-17(20)21-14)16-13(26)12(25)10(32-16)5-31-33(28,29)30/h1-3,6,10,12-13,16,25-26H,4-5H2,(H4-,20,21,22,27,28,29,30)/p+1/t10-,12-,13-,16-/m1/s1
Synonyms:	[(2R,3S,4R,5R)-5-[2-azanyl-7-[[3,4-bis(fluoranyl)phenyl]methyl]-6-oxidanylidene-1H-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
Definition date:	2022-04-04
Last modified:	2022-08-22
Release date:	2022-04-13
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[[3,4-bis(fluoranyl)phenyl]methyl]-6-oxidanylidene-1~{H}-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

IPQ

IPQ
Name:	N7-(3,4-difluorobenzyl) guanine
Formula:	C12 H10 F2 N5 O
SMILES:	Nc1nc(O)c2c([nH]c[n+]2Cc3ccc(F)c(F)c3)n1
InChi:	InChI=1S/C12H9F2N5O/c13-7-2-1-6(3-8(7)14)4-19-5-16-10-9(19)11(20)18-12(15)17-10/h1-3,5H,4H2,(H3,15,17,18,20)/p+1
Synonyms:	2-azanyl-7-[[3,4-bis(fluoranyl)phenyl]methyl]-9H-purin-7-ium-6-ol
Definition date:	2022-04-04
Last modified:	2022-08-22
Release date:	2022-05-25
Identifier:	2-azanyl-7-[[3,4-bis(fluoranyl)phenyl]methyl]-9~{H}-purin-7-ium-6-ol

IQL

IQL
Name:	N-methylpyrimidine-2-carboximidamide
Formula:	C6 H8 N4
SMILES:	CNC(=N)c1ncccn1
InChi:	InChI=1S/C6H8N4/c1-8-5(7)6-9-3-2-4-10-6/h2-4H,1H3,(H2,7,8)
Synonyms:	N'-methylpyrimidine-2-carboximidamide
Definition date:	2022-04-07
Last modified:	2022-08-22
Release date:	2022-04-20
Identifier:	~{N}-methylpyrimidine-2-carboximidamide

ITH

ITH
Name:	4-[(2S,3R)-3-[3,5-bis(oxidanylidene)piperazin-1-ium-1-yl]butan-2-yl]piperazin-4-ium-2,6-dione
Formula:	C12 H20 N4 O4
SMILES:	C[CH]([CH](C)[NH+]1CC(=O)NC(=O)C1)[NH+]2CC(=O)NC(=O)C2
InChi:	InChI=1S/C12H18N4O4/c1-7(15-3-9(17)13-10(18)4-15)8(2)16-5-11(19)14-12(20)6-16/h7-8H,3-6H2,1-2H3,(H,13,17,18)(H,14,19,20)/p+2/t7-,8+
Definition date:	2022-04-11
Last modified:	2022-08-22
Release date:	2022-05-25
Identifier:	4-[(2~{S},3~{R})-3-[3,5-bis(oxidanylidene)piperazin-1-ium-1-yl]butan-2-yl]piperazin-4-ium-2,6-dione

IV9

IV9
Name:	1,1,3,3,5,7,7,9,11,15,15-undecakis($l^{1}-oxidanyl)-2$l^{4},4$l^{3},6$l^{5},8,10,12,14,16,17,18,19$l^{3},20,21,22,23-pentadecaoxa-1$l^{6},3$l^{6},5$l^{6},7$l^{6},9$l^{6},11$l^{6},13$l^{6},15$l^{6}-octatungstapentadecacyclo[7.7.1.1^{1,13}.1^{3,5}.1^{3,15}.1^{5,7}.1^{5,11}.1^{7,11}.0^{2,13}.0^{2,15}.0^{4,13}.0^{6,9}.0^{6,11}.0^{6,13}.0^{9,19}]tricosane
Formula:	O26 W8
SMILES:	O.O.O.O.O.O.O.O.O.O.O.O1[W]23O[W]45O[W]16O[W]78O[W]9%10O[W]%11%12O[W](O2)(O4)(O%11)[O]56[W](O3)(O7)(O9)[O]8%10%12
InChi:	InChI=1S/11H2O.15O.8W/h11*1H2
Definition date:	2022-04-13
Last modified:	2022-08-22
Release date:	2022-07-13
Identifier:	1,1,3,3,5,7,7,9,11,15,15-undecakis($l^{1}-oxidanyl)-2$l^{4},4$l^{3},6$l^{5},8,10,12,14,16,17,18,19$l^{3},20,21,22,23-pentadecaoxa-1$l^{6},3$l^{6},5$l^{6},7$l^{6},9$l^{6},11$l^{6},13$l^{6},15$l^{6}-octatungstapentadecacyclo[7.7.1.1^{1,13}.1^{3,5}.1^{3,15}.1^{5,7}.1^{5,11}.1^{7,11}.0^{2,13}.0^{2,15}.0^{4,13}.0^{6,9}.0^{6,11}.0^{6,13}.0^{9,19}]tricosane

IX7

IX7
Name:	[(2~{R})-3-[[(1~{S},2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hexadecanoyloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4,5-tris(oxidanyl)cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-2-undecanoyloxy-propyl] (10~{S})-10-methylhenicosanoate
Formula:	C70 H131 O24 P
SMILES:	CCCCCCCCCCCCCCCC(=O)OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)[CH](O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH]2O[P](O)(=O)OC[CH](COC(=O)CCCCCCCCC(C)CCCCCCCCCCC)OC(=O)CCCCCCCCCC)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C70H131O24P/c1-5-8-11-14-17-20-21-22-23-25-28-33-39-44-55(73)87-49-53-58(76)60(78)65(83)70(91-53)93-67-63(81)61(79)62(80)66(92-69-64(82)59(77)57(75)52(46-71)90-69)68(67)94-95(84,85)88-48-51(89-56(74)45-40-35-27-19-16-13-10-7-3)47-86-54(72)43-38-34-30-29-32-37-42-50(4)41-36-31-26-24-18-15-12-9-6-2/h50-53,57-71,75-83H,5-49H2,1-4H3,(H,84,85)/t50?,51-,52-,53-,57-,58-,59+,60+,61+,62+,63-,64+,65+,66-,67-,68+,69-,70-/m1/s1
Definition date:	2022-04-14
Last modified:	2022-08-22
Release date:	2022-05-18
Identifier:	[(2~{R})-3-[[(1~{S},2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hexadecanoyloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4,5-tris(oxidanyl)cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-2-undecanoyloxy-propyl] 10-methylhenicosanoate

IZL

IZL
Name:	[(2~{R})-3-[[(1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-[[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4,5-tris(oxidanyl)-6-[(2~{R},3~{S},4~{S},5~{S},6~{R})-3,4,5-tris(oxidanyl)-6-(undecanoyloxymethyl)oxan-2-yl]oxy-cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-2-undecanoyloxy-propyl] (10~{R})-10-methyldodecanoate
Formula:	C74 H133 O39 P
SMILES:	CCCCCCCCCCC(=O)OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)[CH](O[CH]3O[CH](CO[CH]4O[CH](CO[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O)[CH](O)[CH](O)[CH]4O)[CH](O)[CH](O)[CH]3O)[CH]2O[P](O)(=O)OC[CH](COC(=O)CCCCCCCC[CH](C)CC)OC(=O)CCCCCCCCCC)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C74H133O39P/c1-5-8-10-12-14-16-21-26-30-47(78)100-36-43-51(82)56(87)64(95)72(108-43)110-66-60(91)58(89)61(92)67(69(66)113-114(97,98)103-35-40(104-48(79)31-27-23-17-15-13-11-9-6-2)34-99-46(77)29-25-22-19-18-20-24-28-39(4)7-3)111-73-65(96)57(88)53(84)45(109-73)37-101-70-62(93)55(86)52(83)44(107-70)38-102-74-68(59(90)50(81)42(33-76)106-74)112-71-63(94)54(85)49(80)41(32-75)105-71/h39-45,49-76,80-96H,5-38H2,1-4H3,(H,97,98)/t39-,40-,41-,42-,43-,44-,45-,49-,50-,51-,52-,53-,54+,55+,56+,57+,58-,59+,60-,61+,62+,63+,64+,65+,66-,67-,68+,69-,70+,71-,72-,73-,74+/m1/s1
Definition date:	2022-04-22
Last modified:	2022-08-22
Release date:	2022-05-18
Identifier:	[(2~{R})-3-[[(1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-[[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4,5-tris(oxidanyl)-6-[(2~{R},3~{S},4~{S},5~{S},6~{R})-3,4,5-tris(oxidanyl)-6-(undecanoyloxymethyl)oxan-2-yl]oxy-cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-2-undecanoyloxy-propyl] (10~{R})-10-methyldodecanoate

42I

42I
Name:	N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]benzamide
Formula:	C20 H15 N3 O2
SMILES:	Oc1ccc(cc1)c2ccc3c([nH]nc3NC(=O)c4ccccc4)c2
InChi:	InChI=1S/C20H15N3O2/c24-16-9-6-13(7-10-16)15-8-11-17-18(12-15)22-23-19(17)21-20(25)14-4-2-1-3-5-14/h1-12,24H,(H2,21,22,23,25)
Definition date:	2021-06-28
Last modified:	2022-08-22
Release date:	2021-12-01
Identifier:	~{N}-[6-(4-hydroxyphenyl)-1~{H}-indazol-3-yl]benzamide

7OM

7OM
Name:	(3~{R})-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-~{N}-naphthalen-2-yl-piperidine-3-carboxamide
Formula:	C22 H22 N6 O
SMILES:	Cc1cc(N2CCC[CH](C2)C(=O)Nc3ccc4ccccc4c3)n5ncnc5n1
InChi:	InChI=1S/C22H22N6O/c1-15-11-20(28-22(25-15)23-14-24-28)27-10-4-7-18(13-27)21(29)26-19-9-8-16-5-2-3-6-17(16)12-19/h2-3,5-6,8-9,11-12,14,18H,4,7,10,13H2,1H3,(H,26,29)/t18-/m1/s1
Definition date:	2016-11-25
Last modified:	2022-08-22
Release date:	2017-02-22
Identifier:	(3~{R})-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-~{N}-naphthalen-2-yl-piperidine-3-carboxamide

7YE

7YE
Name:	N-[4-[(5R)-6-oxidanylidene-5-quinolin-5-yl-5-(trifluoromethyl)-1,4-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
Formula:	C28 H21 F3 N6 O2
SMILES:	FC(F)(F)[C]1(CC(=NNC1=O)c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)c5cccc6ncccc56
InChi:	InChI=1S/C28H21F3N6O2/c29-28(30,31)27(22-4-1-5-23-21(22)3-2-11-33-23)13-24(35-36-25(27)38)17-6-8-20(9-7-17)34-26(39)37-15-18-10-12-32-14-19(18)16-37/h1-12,14H,13,15-16H2,(H,34,39)(H,36,38)/t27-/m1/s1
Synonyms:	N-[4-[(5R)-6-oxo-5-quinolin-5-yl-5-(trifluoromethyl)-1,4-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
Definition date:	2021-09-15
Last modified:	2022-08-22
Release date:	2022-06-15
Identifier:	~{N}-[4-[(5~{R})-6-oxidanylidene-5-quinolin-5-yl-5-(trifluoromethyl)-1,4-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

7YK

7YK
Name:	N-[4-[(4R)-4-methyl-1-(oxan-4-yl)-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
Formula:	C24 H27 N5 O3
SMILES:	C[CH]1CC(=O)N(N=C1c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)C5CCOCC5
InChi:	InChI=1S/C24H27N5O3/c1-16-12-22(30)29(21-7-10-32-11-8-21)27-23(16)17-2-4-20(5-3-17)26-24(31)28-14-18-6-9-25-13-19(18)15-28/h2-6,9,13,16,21H,7-8,10-12,14-15H2,1H3,(H,26,31)/t16-/m1/s1
Definition date:	2021-09-15
Last modified:	2022-08-22
Release date:	2022-06-15
Identifier:	~{N}-[4-[(4~{R})-4-methyl-1-(oxan-4-yl)-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

7YT

7YT
Name:	N-[4-[(4R)-1,4-dimethyl-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
Formula:	C20 H21 N5 O2
SMILES:	C[CH]1CC(=O)N(C)N=C1c2ccc(NC(=O)N3Cc4cccnc4C3)cc2
InChi:	InChI=1S/C20H21N5O2/c1-13-10-18(26)24(2)23-19(13)14-5-7-16(8-6-14)22-20(27)25-11-15-4-3-9-21-17(15)12-25/h3-9,13H,10-12H2,1-2H3,(H,22,27)/t13-/m1/s1
Synonyms:	N-[4-[(4R)-1,4-Dimethyl-6-oxo-4,5-dihydropyridazin-3-yl]phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
Definition date:	2021-09-15
Last modified:	2022-08-22
Release date:	2022-06-15
Identifier:	~{N}-[4-[(4~{R})-1,4-dimethyl-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide

7YX

7YX
Name:	N-[4-[(4R)-1-cyclopentyl-4-methyl-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
Formula:	C24 H27 N5 O2
SMILES:	C[CH]1CC(=O)N(N=C1c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)C5CCCC5
InChi:	InChI=1S/C24H27N5O2/c1-16-12-22(30)29(21-4-2-3-5-21)27-23(16)17-6-8-20(9-7-17)26-24(31)28-14-18-10-11-25-13-19(18)15-28/h6-11,13,16,21H,2-5,12,14-15H2,1H3,(H,26,31)/t16-/m1/s1
Definition date:	2021-09-15
Last modified:	2022-08-22
Release date:	2022-06-15
Identifier:	~{N}-[4-[(4~{R})-1-cyclopentyl-4-methyl-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

7Z2

7Z2
Name:	N-[4-[(5R)-1-(4-azanylbutyl)-6-oxidanylidene-5-quinolin-5-yl-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
Formula:	C31 H31 N7 O2
SMILES:	NCCCCN1N=C(C[CH](C1=O)c2cccc3ncccc23)c4ccc(NC(=O)N5Cc6ccncc6C5)cc4
InChi:	InChI=1S/C31H31N7O2/c32-13-1-2-16-38-30(39)27(25-5-3-7-28-26(25)6-4-14-34-28)17-29(36-38)21-8-10-24(11-9-21)35-31(40)37-19-22-12-15-33-18-23(22)20-37/h3-12,14-15,18,27H,1-2,13,16-17,19-20,32H2,(H,35,40)/t27-/m1/s1
Definition date:	2021-09-15
Last modified:	2022-08-22
Release date:	2022-06-15
Identifier:	~{N}-[4-[(5~{R})-1-(4-azanylbutyl)-6-oxidanylidene-5-quinolin-5-yl-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

7ZH

7ZH
Name:	methyl 6-[4-[[~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate
Formula:	C28 H34 N10 O7
SMILES:	COC(=O)c1cc(O)c2cc(NC(=O)NCCCCNC(=N)NC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)ccc2c1
InChi:	InChI=1S/C28H34N10O7/c1-44-26(42)15-8-14-4-5-16(10-17(14)18(39)9-15)37-28(43)32-7-3-2-6-31-27(30)33-11-19-21(40)22(41)25(45-19)38-13-36-20-23(29)34-12-35-24(20)38/h4-5,8-10,12-13,19,21-22,25,39-41H,2-3,6-7,11H2,1H3,(H2,29,34,35)(H3,30,31,33)(H2,32,37,43)/t19-,21-,22-,25-/m1/s1
Definition date:	2021-09-17
Last modified:	2022-08-22
Release date:	2022-04-06
Identifier:	methyl 6-[4-[[~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate

7ZN

7ZN
Name:	2-[2-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethyl]benzoic acid
Formula:	C23 H26 N4 O4 S
SMILES:	OC(=O)c1ccccc1CCN2C(=S)NN=C2c3cccc(OCCN4CCOCC4)c3
InChi:	InChI=1S/C23H26N4O4S/c28-22(29)20-7-2-1-4-17(20)8-9-27-21(24-25-23(27)32)18-5-3-6-19(16-18)31-15-12-26-10-13-30-14-11-26/h1-7,16H,8-15H2,(H,25,32)(H,28,29)
Synonyms:	2-[2-[3-(3-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethyl]benzoic acid
Definition date:	2021-09-20
Last modified:	2022-08-22
Release date:	2022-03-16
Identifier:	2-[2-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]ethyl]benzoic acid

805

805
Name:	1-(4-methylphenyl)sulfonyl-N-(1,3-oxazol-2-ylmethyl)pyrrole-3-carboxamide
Formula:	C16 H15 N3 O4 S
SMILES:	Cc1ccc(cc1)[S](=O)(=O)n2ccc(c2)C(=O)NCc3occn3
InChi:	InChI=1S/C16H15N3O4S/c1-12-2-4-14(5-3-12)24(21,22)19-8-6-13(11-19)16(20)18-10-15-17-7-9-23-15/h2-9,11H,10H2,1H3,(H,18,20)
Definition date:	2021-09-21
Last modified:	2022-08-22
Release date:	2022-08-17
Identifier:	1-(4-methylphenyl)sulfonyl-~{N}-(1,3-oxazol-2-ylmethyl)pyrrole-3-carboxamide

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