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HTW

HTW
Name:	(5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-2-naphthalen-1-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one
Formula:	C18 H18 N2 O6
SMILES:	OC[CH]1O[C]2(N=C(NC2=O)c3cccc4ccccc34)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C18H18N2O6/c21-8-12-13(22)14(23)15(24)18(26-12)17(25)19-16(20-18)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-15,21-24H,8H2,(H,19,20,25)/t12-,13-,14+,15-,18+/m1/s1
Definition date:	2018-12-19
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	(5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-2-naphthalen-1-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one

HUM

HUM
Name:	(2S)-4-{4-[4-(benzyloxy)-2-fluorophenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
Formula:	C24 H25 F N2 O6 S
SMILES:	C3(C=C(c1ccc(cc1F)OCc2ccccc2)C=CN3CCC(C)(S(C)(=O)=O)C(NO)=O)=O
InChi:	InChI=1S/C24H25FN2O6S/c1-24(23(29)26-30,34(2,31)32)11-13-27-12-10-18(14-22(27)28)20-9-8-19(15-21(20)25)33-16-17-6-4-3-5-7-17/h3-10,12,14-15,30H,11,13,16H2,1-2H3,(H,26,29)/t24-/m0/s1
Definition date:	2018-07-20
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	(2S)-4-{4-[4-(benzyloxy)-2-fluorophenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide

HVB

HVB
Name:	1-azanylpropylideneazanium
Formula:	C3 H9 N2
SMILES:	CCC(N)=[NH2+]
InChi:	InChI=1S/C3H8N2/c1-2-3(4)5/h2H2,1H3,(H3,4,5)/p+1
Definition date:	2018-12-19
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	1-azanylpropylideneazanium

HVK

HVK
Name:	pyridin-2-amine
Formula:	C5 H6 N2
SMILES:	Nc1ccccn1
InChi:	InChI=1S/C5H6N2/c6-5-3-1-2-4-7-5/h1-4H,(H2,6,7)
Definition date:	2018-12-20
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	pyridin-2-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

JCG

JCG
Name:	(2R)-4-{4-[4-(benzyloxy)-2-fluorophenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
Formula:	C24 H25 F N2 O6 S
SMILES:	C3(C=C(c2c(F)cc(OCc1ccccc1)cc2)C=CN3CCC(C)(S(C)(=O)=O)C(=O)NO)=O
InChi:	InChI=1S/C24H25FN2O6S/c1-24(23(29)26-30,34(2,31)32)11-13-27-12-10-18(14-22(27)28)20-9-8-19(15-21(20)25)33-16-17-6-4-3-5-7-17/h3-10,12,14-15,30H,11,13,16H2,1-2H3,(H,26,29)/t24-/m1/s1
Definition date:	2018-08-29
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	(2R)-4-{4-[4-(benzyloxy)-2-fluorophenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide

C06

C06
Name:	[[(2S,3R,4S,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4S,5R,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
Formula:	C16 H25 N5 O15 P2
SMILES:	C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34)N)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5+,7+,8+,9+,10+,11+,14-,15+/m1/s1
Definition date:	2019-04-02
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	[[(2~{S},3~{R},4~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{S},3~{S},4~{S},5~{R},6~{R})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate

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

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

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

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

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

KRK

KRK
Name:	3-[2-[(3~{S})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine
Formula:	C14 H13 F N6
SMILES:	F[CH]1CCN(C1)c2nccc(n2)c3cnn4ncccc34
InChi:	InChI=1S/C14H13FN6/c15-10-4-7-20(9-10)14-16-6-3-12(19-14)11-8-18-21-13(11)2-1-5-17-21/h1-3,5-6,8,10H,4,7,9H2/t10-/m0/s1
Definition date:	2019-06-19
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	3-[2-[(3~{S})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine

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