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N8Z

N8Z
Name:	5-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-ethyl-1,2,4-triazole-3-thiol
Formula:	C9 H12 Cl N5 S
SMILES:	CCn1c(S)nnc1c2nn(C)c(C)c2Cl
InChi:	InChI=1S/C9H12ClN5S/c1-4-15-8(11-12-9(15)16)7-6(10)5(2)14(3)13-7/h4H2,1-3H3,(H,12,16)
Definition date:	2019-11-15
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	5-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-ethyl-1,2,4-triazole-3-thiol

NL8

NL8
Name:	~{N}-(4-aminocarbonylphenyl)-~{N}-methyl-2,4-bis(oxidanyl)benzamide
Formula:	C15 H14 N2 O4
SMILES:	CN(C(=O)c1ccc(O)cc1O)c2ccc(cc2)C(N)=O
InChi:	InChI=1S/C15H14N2O4/c1-17(10-4-2-9(3-5-10)14(16)20)15(21)12-7-6-11(18)8-13(12)19/h2-8,18-19H,1H3,(H2,16,20)
Definition date:	2019-12-06
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	~{N}-(4-aminocarbonylphenyl)-~{N}-methyl-2,4-bis(oxidanyl)benzamide

NMW

NMW
Name:	[2,4-bis(oxidanyl)phenyl]-[(1~{S})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone
Formula:	C23 H22 N2 O5
SMILES:	COc1cc2CCN([CH](c3cccnc3)c2cc1OC)C(=O)c4ccc(O)cc4O
InChi:	InChI=1S/C23H22N2O5/c1-29-20-10-14-7-9-25(23(28)17-6-5-16(26)11-19(17)27)22(15-4-3-8-24-13-15)18(14)12-21(20)30-2/h3-6,8,10-13,22,26-27H,7,9H2,1-2H3/t22-/m1/s1
Definition date:	2019-12-06
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	[2,4-bis(oxidanyl)phenyl]-[(1~{S})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone

NN8

NN8
Name:	[2,4-bis(oxidanyl)phenyl]-[(1~{R})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone
Formula:	C23 H22 N2 O5
SMILES:	COc1cc2CCN([CH](c3cccnc3)c2cc1OC)C(=O)c4ccc(O)cc4O
InChi:	InChI=1S/C23H22N2O5/c1-29-20-10-14-7-9-25(23(28)17-6-5-16(26)11-19(17)27)22(15-4-3-8-24-13-15)18(14)12-21(20)30-2/h3-6,8,10-13,22,26-27H,7,9H2,1-2H3/t22-/m0/s1
Definition date:	2019-12-06
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	[2,4-bis(oxidanyl)phenyl]-[(1~{R})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone

QQN

QQN
Name:	[2-[(3-chlorophenyl)methylamino]-4-methoxy-1,3-benzoxazol-6-yl]-[(3~{R},4~{R})-3-methyl-4-oxidanyl-piperidin-1-yl]methanone
Formula:	C22 H24 Cl N3 O4
SMILES:	COc1cc(cc2oc(NCc3cccc(Cl)c3)nc12)C(=O)N4CC[CH](O)[CH](C)C4
InChi:	InChI=1S/C22H24ClN3O4/c1-13-12-26(7-6-17(13)27)21(28)15-9-18(29-2)20-19(10-15)30-22(25-20)24-11-14-4-3-5-16(23)8-14/h3-5,8-10,13,17,27H,6-7,11-12H2,1-2H3,(H,24,25)/t13-,17-/m1/s1
Definition date:	2020-07-24
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	[2-[(3-chlorophenyl)methylamino]-4-methoxy-1,3-benzoxazol-6-yl]-[(3~{R},4~{R})-3-methyl-4-oxidanyl-piperidin-1-yl]methanone

U0D

U0D
Name:	4-(1-{1-[2-(dimethylamino)ethyl]piperidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine
Formula:	C31 H36 F3 N7
SMILES:	n2(cnc(c1ccc(cc1)C(F)(F)F)c2c3ccnc(n3)Nc4cc(cc(c4)C)C)C5CCN(CC5)CCN(C)C
InChi:	InChI=1S/C31H36F3N7/c1-21-17-22(2)19-25(18-21)37-30-35-12-9-27(38-30)29-28(23-5-7-24(8-6-23)31(32,33)34)36-20-41(29)26-10-13-40(14-11-26)16-15-39(3)4/h5-9,12,17-20,26H,10-11,13-16H2,1-4H3,(H,35,37,38)
Definition date:	2020-04-07
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	4-(1-{1-[2-(dimethylamino)ethyl]piperidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine

T9D

T9D
Name:	5-{5-[(piperidin-4-yl)oxy]-2H-isoindol-2-yl}-4-(trifluoromethyl)pyridazin-3(2H)-one
Formula:	C18 H17 F3 N4 O2
SMILES:	C1(=C(C=NNC1=O)n2cc3c(c2)ccc(c3)OC4CCNCC4)C(F)(F)F
InChi:	InChI=1S/C18H17F3N4O2/c19-18(20,21)16-15(8-23-24-17(16)26)25-9-11-1-2-14(7-12(11)10-25)27-13-3-5-22-6-4-13/h1-2,7-10,13,22H,3-6H2,(H,24,26)
Definition date:	2020-03-17
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	5-{5-[(piperidin-4-yl)oxy]-2H-isoindol-2-yl}-4-(trifluoromethyl)pyridazin-3(2H)-one

UY4

UY4
Name:	(2S,3S)-2-{[(9-{(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-9H-purin-6-yl)carbamoyl]amino}-3-hydroxybutanoic acid
Formula:	C15 H21 N6 O11 P
SMILES:	c23n(C1OC(C(C1O)O)COP(O)(=O)O)cnc2c(ncn3)NC(NC(C(=O)O)C(C)O)=O
InChi:	InChI=1S/C15H21N6O11P/c1-5(22)7(14(25)26)19-15(27)20-11-8-12(17-3-16-11)21(4-18-8)13-10(24)9(23)6(32-13)2-31-33(28,29)30/h3-7,9-10,13,22-24H,2H2,1H3,(H,25,26)(H2,28,29,30)(H2,16,17,19,20,27)/t5-,6+,7-,9+,10+,13+/m0/s1
Definition date:	2020-06-04
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	(2S,3S)-2-{[(9-{(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-9H-purin-6-yl)carbamoyl]amino}-3-hydroxybutanoic acid (non-preferred name)

QZY

QZY
Name:	3-{[benzyl(ethyl)carbamoyl]amino}-5-(4-phenoxyphenyl)thiophene-2-carboxylic acid
Formula:	C27 H24 N2 O4 S
SMILES:	c1ccccc1Oc4ccc(c2cc(c(s2)C(O)=O)NC(=O)N(CC)Cc3ccccc3)cc4
InChi:	InChI=1S/C27H24N2O4S/c1-2-29(18-19-9-5-3-6-10-19)27(32)28-23-17-24(34-25(23)26(30)31)20-13-15-22(16-14-20)33-21-11-7-4-8-12-21/h3-17H,2,18H2,1H3,(H,28,32)(H,30,31)
Definition date:	2020-01-20
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	3-{[benzyl(ethyl)carbamoyl]amino}-5-(4-phenoxyphenyl)thiophene-2-carboxylic acid

OA8

OA8
Name:	{[(2R,3S,4R,5S,6S)-3-(acetyloxy)-5-acetamido-4,6-dihydroxyoxan-2-yl]methoxy}phosphonic acid
Formula:	C10 H18 N O10 P
SMILES:	CC(=O)N[CH]1[CH](O)O[CH](CO[P](O)(O)=O)[CH](OC(C)=O)[CH]1O
InChi:	InChI=1S/C10H18NO10P/c1-4(12)11-7-8(14)9(20-5(2)13)6(21-10(7)15)3-19-22(16,17)18/h6-10,14-15H,3H2,1-2H3,(H,11,12)(H2,16,17,18)/t6-,7+,8-,9-,10?/m1/s1
Definition date:	2020-02-25
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	[(2~{R},3~{S},4~{R},5~{S})-5-acetamido-4,6-bis(oxidanyl)-2-(phosphonooxymethyl)oxan-3-yl] ethanoate

OAB

OAB
Name:	{[(2R,3S,4R,5S,6S)-5-acetamido-3,6-dihydroxy-4-(2-oxopropyl)oxan-2-yl]methoxy}phosphonic acid
Formula:	C10 H18 N O10 P
SMILES:	CC(=O)N[CH]1[CH](O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1OC(C)=O
InChi:	InChI=1S/C10H18NO10P/c1-4(12)11-7-9(20-5(2)13)8(14)6(21-10(7)15)3-19-22(16,17)18/h6-10,14-15H,3H2,1-2H3,(H,11,12)(H2,16,17,18)/t6-,7+,8-,9-,10?/m1/s1
Definition date:	2020-02-25
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	[(3~{S},4~{R},5~{S},6~{R})-3-acetamido-2,5-bis(oxidanyl)-6-(phosphonooxymethyl)oxan-4-yl] ethanoate

OOW

OOW
Name:	{[(2R,3S,4R,5S,6R)-5-acetamido-3-hydroxy-4-(2-oxopropyl)-6-(phosphonooxy)oxan-2-yl]methoxy}phosphonic acid
Formula:	C10 H19 N O13 P2
SMILES:	CC(=O)N[CH]1[CH](O[CH](CO[P](O)(O)=O)[CH](O)[CH]1OC(C)=O)O[P](O)(O)=O
InChi:	InChI=1S/C10H19NO13P2/c1-4(12)11-7-9(22-5(2)13)8(14)6(3-21-25(15,16)17)23-10(7)24-26(18,19)20/h6-10,14H,3H2,1-2H3,(H,11,12)(H2,15,16,17)(H2,18,19,20)/t6-,7+,8-,9-,10-/m1/s1
Definition date:	2020-03-25
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	[(2~{R},3~{S},4~{R},5~{S},6~{R})-3-acetamido-5-oxidanyl-2-phosphonooxy-6-(phosphonooxymethyl)oxan-4-yl] ethanoate

P9Y

P9Y
Name:	1-[3-(4-chlorophenoxy)propyl]-1H-imidazole
Formula:	C12 H13 Cl N2 O
SMILES:	c1(ccc(cc1)Cl)OCCCn2ccnc2
InChi:	InChI=1S/C12H13ClN2O/c13-11-2-4-12(5-3-11)16-9-1-7-15-8-6-14-10-15/h2-6,8,10H,1,7,9H2
Definition date:	2019-08-07
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	1-[3-(4-chlorophenoxy)propyl]-1H-imidazole

PBY

PBY
Name:	N~4~-(3-chlorophenyl)pyrimidine-4,6-diamine
Formula:	C10 H9 Cl N4
SMILES:	c1(cc(ccc1)Cl)Nc2cc(N)ncn2
InChi:	InChI=1S/C10H9ClN4/c11-7-2-1-3-8(4-7)15-10-5-9(12)13-6-14-10/h1-6H,(H3,12,13,14,15)
Definition date:	2019-08-07
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	N~4~-(3-chlorophenyl)pyrimidine-4,6-diamine

PJ1

PJ1
Name:	(2R)-1-[(4-chlorophenyl)(methyl)amino]-3-(1H-imidazol-1-yl)propan-2-ol
Formula:	C13 H16 Cl N3 O
SMILES:	c1(ccc(cc1)Cl)N(CC(Cn2ccnc2)O)C
InChi:	InChI=1S/C13H16ClN3O/c1-16(12-4-2-11(14)3-5-12)8-13(18)9-17-7-6-15-10-17/h2-7,10,13,18H,8-9H2,1H3/t13-/m1/s1
Definition date:	2019-08-07
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	(2R)-1-[(4-chlorophenyl)(methyl)amino]-3-(1H-imidazol-1-yl)propan-2-ol

PJ4

PJ4
Name:	(1S)-3-chloro-1-(4-methylpiperazin-1-yl)-1,4-dihydroisoquinoline
Formula:	C14 H18 Cl N3
SMILES:	c12C(N=C(Cl)Cc1cccc2)N3CCN(CC3)C
InChi:	InChI=1S/C14H18ClN3/c1-17-6-8-18(9-7-17)14-12-5-3-2-4-11(12)10-13(15)16-14/h2-5,14H,6-10H2,1H3
Definition date:	2019-08-07
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	(1S)-3-chloro-1-(4-methylpiperazin-1-yl)-1,4-dihydroisoquinoline

PJG

PJG
Name:	N~1~-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethane-1,2-diamine
Formula:	C12 H22 N2
SMILES:	C13(CC2CC(CC(C1)C2)C3)NCCN
InChi:	InChI=1S/C12H22N2/c13-1-2-14-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11,14H,1-8,13H2/t9-,10+,11-,12-
Definition date:	2019-08-07
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	N~1~-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethane-1,2-diamine

PJP

PJP
Name:	N,N-diethyl-4-methylbenzene-1-sulfonamide
Formula:	C11 H17 N O2 S
SMILES:	CCN(CC)S(c1ccc(cc1)C)(=O)=O
InChi:	InChI=1S/C11H17NO2S/c1-4-12(5-2)15(13,14)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3
Definition date:	2019-08-12
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	N,N-diethyl-4-methylbenzene-1-sulfonamide

PJS

PJS
Name:	N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethylpyrimidine-4-carboxamide
Formula:	C14 H13 Cl F N3 O
SMILES:	Cc1nc(ccn1)C(N(Cc2c(F)cccc2Cl)C)=O
InChi:	InChI=1S/C14H13ClFN3O/c1-9-17-7-6-13(18-9)14(20)19(2)8-10-11(15)4-3-5-12(10)16/h3-7H,8H2,1-2H3
Definition date:	2019-08-12
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethylpyrimidine-4-carboxamide

PJV

PJV
Name:	3-(2-bromophenoxy)pyridazine
Formula:	C10 H7 Br N2 O
SMILES:	c1(Br)ccccc1Oc2cccnn2
InChi:	InChI=1S/C10H7BrN2O/c11-8-4-1-2-5-9(8)14-10-6-3-7-12-13-10/h1-7H
Definition date:	2019-08-12
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	3-(2-bromophenoxy)pyridazine

PKD

PKD
Name:	(4S)-3-(4-chlorobenzene-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
Formula:	C11 H10 Cl N O3 S
SMILES:	C(C1CSCN1C(c2ccc(cc2)Cl)=O)(O)=O
InChi:	InChI=1S/C11H10ClNO3S/c12-8-3-1-7(2-4-8)10(14)13-6-17-5-9(13)11(15)16/h1-4,9H,5-6H2,(H,15,16)/t9-/m1/s1
Definition date:	2019-08-12
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	(4S)-3-(4-chlorobenzene-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid

Q94

Q94
Name:	N-{5-[(3R)-3-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]amino}pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide
Formula:	C12 H16 N8 O2 S2
SMILES:	c3(N1CCC(C1)Nc2nnc(NC(C)=O)s2)sc(nn3)NC(C)=O
InChi:	InChI=1S/C12H16N8O2S2/c1-6(21)13-9-16-17-11(23-9)15-8-3-4-20(5-8)12-19-18-10(24-12)14-7(2)22/h8H,3-5H2,1-2H3,(H,15,17)(H,13,16,21)(H,14,18,22)/t8-/m1/s1
Definition date:	2019-10-04
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	N-{5-[(3R)-3-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]amino}pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide

Q9A

Q9A
Name:	N-{5-[(3S)-3-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]amino}pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide
Formula:	C12 H16 N8 O2 S2
SMILES:	C2C(CN(c1nnc(NC(C)=O)s1)C2)Nc3nnc(NC(C)=O)s3
InChi:	InChI=1S/C12H16N8O2S2/c1-6(21)13-9-16-17-11(23-9)15-8-3-4-20(5-8)12-19-18-10(24-12)14-7(2)22/h8H,3-5H2,1-2H3,(H,15,17)(H,13,16,21)(H,14,18,22)/t8-/m0/s1
Definition date:	2019-10-04
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	N-{5-[(3S)-3-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]amino}pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide

Q9S

Q9S
Name:	5-{4-[(5-amino-1,3,4-thiadiazol-2-yl)oxy]piperidin-1-yl}-1,3,4-thiadiazol-2-amine
Formula:	C9 H13 N7 O S2
SMILES:	Nc3nnc(OC1CCN(CC1)c2nnc(N)s2)s3
InChi:	InChI=1S/C9H13N7OS2/c10-6-12-14-8(18-6)16-3-1-5(2-4-16)17-9-15-13-7(11)19-9/h5H,1-4H2,(H2,10,12)(H2,11,13)
Definition date:	2019-10-08
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	5-{4-[(5-amino-1,3,4-thiadiazol-2-yl)oxy]piperidin-1-yl}-1,3,4-thiadiazol-2-amine

Q9V

Q9V
Name:	N-[5-(4-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]oxy}piperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide
Formula:	C13 H17 N7 O3 S2
SMILES:	C2C(CCN(c1nnc(NC(C)=O)s1)C2)Oc3nnc(NC(C)=O)s3
InChi:	InChI=1S/C13H17N7O3S2/c1-7(21)14-10-16-18-12(24-10)20-5-3-9(4-6-20)23-13-19-17-11(25-13)15-8(2)22/h9H,3-6H2,1-2H3,(H,14,16,21)(H,15,17,22)
Definition date:	2019-10-08
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	N-[5-(4-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]oxy}piperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide

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