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KRQ

KRQ
Name:	~{N}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
Formula:	C11 H10 N6
SMILES:	CNc1nccc(n1)c2cnn3ncccc23
InChi:	InChI=1S/C11H10N6/c1-12-11-13-6-4-9(16-11)8-7-15-17-10(8)3-2-5-14-17/h2-7H,1H3,(H,12,13,16)
Definition date:	2019-06-19
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	~{N}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine

F9Q

F9Q
Name:	6-(2-chloranyl-6-methyl-pyridin-4-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
Formula:	C15 H11 Cl F N5
SMILES:	Cc1cc(cc(Cl)n1)c2nnc(N)nc2c3ccc(F)cc3
InChi:	InChI=1S/C15H11ClFN5/c1-8-6-10(7-12(16)19-8)14-13(20-15(18)22-21-14)9-2-4-11(17)5-3-9/h2-7H,1H3,(H2,18,20,22)
Definition date:	2018-06-15
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	6-(2-chloranyl-6-methyl-pyridin-4-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine

J1M

J1M
Name:	(2S)-4-{4-[4-(benzyloxy)phenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
Formula:	C24 H26 N2 O6 S
SMILES:	c1(ccc(cc1)OCc2ccccc2)C=3C=CN(CCC(C(NO)=O)(C)S(C)(=O)=O)C(C=3)=O
InChi:	InChI=1S/C24H26N2O6S/c1-24(23(28)25-29,33(2,30)31)13-15-26-14-12-20(16-22(26)27)19-8-10-21(11-9-19)32-17-18-6-4-3-5-7-18/h3-12,14,16,29H,13,15,17H2,1-2H3,(H,25,28)/t24-/m0/s1
Definition date:	2018-08-03
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	(2S)-4-{4-[4-(benzyloxy)phenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide

CV2

CV2
Name:	(S)-(1-amino-2phenylallyl)phosphonic acid
Formula:	C9 H12 N O3 P
SMILES:	N[CH](C(=C)c1ccccc1)[P](O)(O)=O
InChi:	InChI=1S/C9H12NO3P/c1-7(9(10)14(11,12)13)8-5-3-2-4-6-8/h2-6,9H,1,10H2,(H2,11,12,13)/t9-/m0/s1
Definition date:	2017-12-06
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	[(1~{S})-1-azanyl-2-phenyl-prop-2-enyl]phosphonic acid

CWW

CWW
Name:	4-(4-bromanylpyrazol-1-yl)-6-(ethylcarbamoylamino)-~{N}-pyridin-3-yl-pyridine-3-carboxamide
Formula:	C17 H16 Br N7 O2
SMILES:	CCNC(=O)Nc1cc(n2cc(Br)cn2)c(cn1)C(=O)Nc3cccnc3
InChi:	InChI=1S/C17H16BrN7O2/c1-2-20-17(27)24-15-6-14(25-10-11(18)7-22-25)13(9-21-15)16(26)23-12-4-3-5-19-8-12/h3-10H,2H2,1H3,(H,23,26)(H2,20,21,24,27)
Definition date:	2017-12-12
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	4-(4-bromanylpyrazol-1-yl)-6-(ethylcarbamoylamino)-~{N}-pyridin-3-yl-pyridine-3-carboxamide

CZ5

CZ5
Name:	6-(ethylcarbamoylamino)-4-pyrazol-1-yl-~{N}-pyridin-3-yl-pyridine-3-carboxamide
Formula:	C17 H17 N7 O2
SMILES:	CCNC(=O)Nc1cc(n2cccn2)c(cn1)C(=O)Nc3cccnc3
InChi:	InChI=1S/C17H17N7O2/c1-2-19-17(26)23-15-9-14(24-8-4-7-21-24)13(11-20-15)16(25)22-12-5-3-6-18-10-12/h3-11H,2H2,1H3,(H,22,25)(H2,19,20,23,26)
Definition date:	2017-12-13
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	6-(ethylcarbamoylamino)-4-pyrazol-1-yl-~{N}-pyridin-3-yl-pyridine-3-carboxamide

D0H

D0H
Name:	6-(ethylcarbamoylamino)-~{N}-(3-methylphenyl)-4-[(3-methylphenyl)amino]pyridine-3-carboxamide
Formula:	C23 H25 N5 O2
SMILES:	CCNC(=O)Nc1cc(Nc2cccc(C)c2)c(cn1)C(=O)Nc3cccc(C)c3
InChi:	InChI=1S/C23H25N5O2/c1-4-24-23(30)28-21-13-20(26-17-9-5-7-15(2)11-17)19(14-25-21)22(29)27-18-10-6-8-16(3)12-18/h5-14H,4H2,1-3H3,(H,27,29)(H3,24,25,26,28,30)
Definition date:	2017-12-14
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	6-(ethylcarbamoylamino)-~{N}-(3-methylphenyl)-4-[(3-methylphenyl)amino]pyridine-3-carboxamide

EH2

EH2
Name:	2-[(~{E})-2-thiophen-2-ylethenyl]benzoic acid
Formula:	C13 H10 O2 S
SMILES:	OC(=O)c1ccccc1C=Cc2sccc2
InChi:	InChI=1S/C13H10O2S/c14-13(15)12-6-2-1-4-10(12)7-8-11-5-3-9-16-11/h1-9H,(H,14,15)/b8-7+
Definition date:	2018-03-22
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	2-[(~{E})-2-thiophen-2-ylethenyl]benzoic acid

EHH

EHH
Name:	[3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)phenyl]methanamine
Formula:	C18 H20 N4
SMILES:	Cn1cnc(c1c2ccncc2)c3c(C)cc(CN)cc3C
InChi:	InChI=1S/C18H20N4/c1-12-8-14(10-19)9-13(2)16(12)17-18(22(3)11-21-17)15-4-6-20-7-5-15/h4-9,11H,10,19H2,1-3H3
Definition date:	2018-03-23
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	[3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)phenyl]methanamine

EHQ

EHQ
Name:	3,5-dimethyl-4-(4-pyridin-4-yl-1~{H}-pyrazol-3-yl)-1,2-oxazole
Formula:	C13 H12 N4 O
SMILES:	Cc1onc(C)c1c2n[nH]cc2c3ccncc3
InChi:	InChI=1S/C13H12N4O/c1-8-12(9(2)18-17-8)13-11(7-15-16-13)10-3-5-14-6-4-10/h3-7H,1-2H3,(H,15,16)
Definition date:	2018-03-23
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	3,5-dimethyl-4-(4-pyridin-4-yl-1~{H}-pyrazol-3-yl)-1,2-oxazole

EHT

EHT
Name:	3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)-1,2-oxazole
Formula:	C14 H14 N4 O
SMILES:	Cn1cnc(c1c2ccncc2)c3c(C)onc3C
InChi:	InChI=1S/C14H14N4O/c1-9-12(10(2)19-17-9)13-14(18(3)8-16-13)11-4-6-15-7-5-11/h4-8H,1-3H3
Definition date:	2018-03-23
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)-1,2-oxazole

EHW

EHW
Name:	4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-1,2-oxazole
Formula:	C18 H15 F N4 O
SMILES:	Cn1cnc(c1c2ccnc3cc(F)ccc23)c4c(C)onc4C
InChi:	InChI=1S/C18H15FN4O/c1-10-16(11(2)24-22-10)17-18(23(3)9-21-17)14-6-7-20-15-8-12(19)4-5-13(14)15/h4-9H,1-3H3
Definition date:	2018-03-23
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-1,2-oxazole

EJE

EJE
Name:	[4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-phenyl]methanamine
Formula:	C22 H21 F N4
SMILES:	Cn1cnc(c1c2ccnc3cc(F)ccc23)c4c(C)cc(CN)cc4C
InChi:	InChI=1S/C22H21FN4/c1-13-8-15(11-24)9-14(2)20(13)21-22(27(3)12-26-21)18-6-7-25-19-10-16(23)4-5-17(18)19/h4-10,12H,11,24H2,1-3H3
Definition date:	2018-03-23
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	[4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-phenyl]methanamine

KQE

KQE
Name:	6-pyridin-4-yl-3-[3-(trifluoromethyloxy)phenyl]imidazo[1,2-b]pyridazine
Formula:	C18 H11 F3 N4 O
SMILES:	FC(F)(F)Oc1cccc(c1)c2cnc3ccc(nn23)c4ccncc4
InChi:	InChI=1S/C18H11F3N4O/c19-18(20,21)26-14-3-1-2-13(10-14)16-11-23-17-5-4-15(24-25(16)17)12-6-8-22-9-7-12/h1-11H
Definition date:	2019-06-18
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	6-pyridin-4-yl-3-[3-(trifluoromethyloxy)phenyl]imidazo[1,2-b]pyridazine

KQK

KQK
Name:	~{N},~{N}-dimethyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
Formula:	C12 H12 N6
SMILES:	CN(C)c1nccc(n1)c2cnn3ncccc23
InChi:	InChI=1S/C12H12N6/c1-17(2)12-13-7-5-10(16-12)9-8-15-18-11(9)4-3-6-14-18/h3-8H,1-2H3
Definition date:	2019-06-18
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	~{N},~{N}-dimethyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine

KQW

KQW
Name:	~{N}-cyclopropyl-~{N}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
Formula:	C14 H14 N6
SMILES:	CN(C1CC1)c2nccc(n2)c3cnn4ncccc34
InChi:	InChI=1S/C14H14N6/c1-19(10-4-5-10)14-15-8-6-12(18-14)11-9-17-20-13(11)3-2-7-16-20/h2-3,6-10H,4-5H2,1H3
Definition date:	2019-06-18
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	~{N}-cyclopropyl-~{N}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine

KQZ

KQZ
Name:	~{N},~{N}-dimethyl-4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
Formula:	C13 H13 N5
SMILES:	CN(C)c1nccc(n1)c2c[nH]c3ncccc23
InChi:	InChI=1S/C13H13N5/c1-18(2)13-15-7-5-11(17-13)10-8-16-12-9(10)4-3-6-14-12/h3-8H,1-2H3,(H,14,16)
Definition date:	2019-06-18
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	~{N},~{N}-dimethyl-4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

KR8

KR8
Name:	~{N}-methyl-~{N}-phenyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
Formula:	C17 H14 N6
SMILES:	CN(c1ccccc1)c2nccc(n2)c3cnn4ncccc34
InChi:	InChI=1S/C17H14N6/c1-22(13-6-3-2-4-7-13)17-18-11-9-15(21-17)14-12-20-23-16(14)8-5-10-19-23/h2-12H,1H3
Definition date:	2019-06-18
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	~{N}-methyl-~{N}-phenyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine

H1H

H1H
Name:	5-methoxy-2-[[(1~{S})-1-(2-methoxyphenyl)ethyl]carbamoylamino]-4-(4-methylpentoxy)benzoic acid
Formula:	C24 H32 N2 O6
SMILES:	COc1ccccc1[CH](C)NC(=O)Nc2cc(OCCCC(C)C)c(OC)cc2C(O)=O
InChi:	InChI=1S/C24H32N2O6/c1-15(2)9-8-12-32-22-14-19(18(23(27)28)13-21(22)31-5)26-24(29)25-16(3)17-10-6-7-11-20(17)30-4/h6-7,10-11,13-16H,8-9,12H2,1-5H3,(H,27,28)(H2,25,26,29)/t16-/m0/s1
Definition date:	2018-11-02
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	5-methoxy-2-[[(1~{S})-1-(2-methoxyphenyl)ethyl]carbamoylamino]-4-(4-methylpentoxy)benzoic acid

HAY

HAY
Name:	(2R)-4-{4-[4-(benzyloxy)phenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
Formula:	C24 H26 N2 O6 S
SMILES:	c1(ccc(cc1)OCc2ccccc2)C=3C=CN(CCC(C(=O)NO)(C)S(C)(=O)=O)C(C=3)=O
InChi:	InChI=1S/C24H26N2O6S/c1-24(23(28)25-29,33(2,30)31)13-15-26-14-12-20(16-22(26)27)19-8-10-21(11-9-19)32-17-18-6-4-3-5-7-18/h3-12,14,16,29H,13,15,17H2,1-2H3,(H,25,28)/t24-/m1/s1
Definition date:	2018-06-21
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	(2R)-4-{4-[4-(benzyloxy)phenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide

M1J

M1J
Name:	4-(difluoromethyl)-5-{4-[(3S)-3-methylmorpholin-4-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}pyridin-2-amine
Formula:	C18 H23 F2 N7 O2
SMILES:	c1(c(cc(N)nc1)C(F)F)c3nc(nc(N2CCOCC2C)n3)N4CCOCC4
InChi:	InChI=1S/C18H23F2N7O2/c1-11-10-29-7-4-27(11)18-24-16(13-9-22-14(21)8-12(13)15(19)20)23-17(25-18)26-2-5-28-6-3-26/h8-9,11,15H,2-7,10H2,1H3,(H2,21,22)/t11-/m0/s1
Definition date:	2019-03-18
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	4-(difluoromethyl)-5-{4-[(3S)-3-methylmorpholin-4-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}pyridin-2-amine

N9V

N9V
Name:	5'-O-[(S)-{[(S)-[(3R)-4-({(1E)-3-[(2-{[(2S)-2-carboxybutanoyl]sulfanyl}ethyl)amino]-3-oxoprop-1-en-1-yl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate)
Formula:	C26 H40 N7 O19 P3 S
SMILES:	CCC(C(O)=O)C(SCCNC([C@H]=CNC(C(O)C(COP(=O)(O)OP(=O)(O)OCC3C(C(O)C(n2cnc1c(N)ncnc12)O3)OP(O)(=O)O)(C)C)=O)=O)=O
InChi:	InChI=1S/C26H40N7O19P3S/c1-4-13(24(38)39)25(40)56-8-7-28-15(34)5-6-29-22(37)19(36)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-18(51-53(41,42)43)17(35)23(50-14)33-12-32-16-20(27)30-11-31-21(16)33/h5-6,11-14,17-19,23,35-36H,4,7-10H2,1-3H3,(H,28,34)(H,29,37)(H,38,39)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/b6-5+/t13-,14+,17+,18+,19-,23+/m0/s1
Definition date:	2019-05-10
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	5'-O-[(S)-{[(S)-[(3R)-4-({(1E)-3-[(2-{[(2S)-2-carboxybutanoyl]sulfanyl}ethyl)amino]-3-oxoprop-1-en-1-yl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate)

N9Y

N9Y
Name:	(3S)-2-{(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl}-N-(pyridin-2-yl)hexahydropyridazine-3-carboxamide
Formula:	C20 H29 N5 O4
SMILES:	C(N(C=O)O)C(CC1CCCC1)C(N2C(CCCN2)C(=O)Nc3ccccn3)=O
InChi:	InChI=1S/C20H29N5O4/c26-14-24(29)13-16(12-15-6-1-2-7-15)20(28)25-17(8-5-11-22-25)19(27)23-18-9-3-4-10-21-18/h3-4,9-10,14-17,22,29H,1-2,5-8,11-13H2,(H,21,23,27)/t16-,17+/m1/s1
Definition date:	2019-05-10
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	(3S)-2-{(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl}-N-(pyridin-2-yl)hexahydropyridazine-3-carboxamide

NB4

NB4
Name:	(2R)-2-(cyclopentylmethyl)-N'-{5-fluoro-6-[(9aS)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]-2-methylpyrimidin-4-yl}-3-[hydroxy(hydroxymethyl)amino]propanehydrazide
Formula:	C22 H36 F N7 O4
SMILES:	C(C1CCCC1)C(C(NNc2nc(C)nc(c2F)N4CCN3CCOCC3C4)=O)CN(CO)O
InChi:	InChI=1S/C22H36FN7O4/c1-15-24-20(19(23)21(25-15)29-7-6-28-8-9-34-13-18(28)12-29)26-27-22(32)17(11-30(33)14-31)10-16-4-2-3-5-16/h16-18,31,33H,2-14H2,1H3,(H,27,32)(H,24,25,26)/t17-,18+/m1/s1
Definition date:	2019-05-10
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	(2R)-2-(cyclopentylmethyl)-N'-{5-fluoro-6-[(9aS)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]-2-methylpyrimidin-4-yl}-3-[hydroxy(hydroxymethyl)amino]propanehydrazide

AFU

AFU
Name:	2-amino-5-[3-(piperazin-1-yl)phenyl]-N-(pyridin-4-yl)pyridine-3-carboxamide
Formula:	C21 H22 N6 O
SMILES:	c1cc(ccn1)NC(=O)c2c(N)ncc(c2)c3cccc(c3)N4CCNCC4
InChi:	InChI=1S/C21H22N6O/c22-20-19(21(28)26-17-4-6-23-7-5-17)13-16(14-25-20)15-2-1-3-18(12-15)27-10-8-24-9-11-27/h1-7,12-14,24H,8-11H2,(H2,22,25)(H,23,26,28)
Definition date:	2018-11-01
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	2-amino-5-[3-(piperazin-1-yl)phenyl]-N-(pyridin-4-yl)pyridine-3-carboxamide

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