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7QF

7QF
Name:	2-azanyl-5-[3-[(2R)-morpholin-2-yl]phenyl]benzenecarbonitrile
Formula:	C17 H17 N3 O
SMILES:	Nc1ccc(cc1C#N)c2cccc(c2)[CH]3CNCCO3
InChi:	InChI=1S/C17H17N3O/c18-10-15-9-13(4-5-16(15)19)12-2-1-3-14(8-12)17-11-20-6-7-21-17/h1-5,8-9,17,20H,6-7,11,19H2/t17-/m0/s1
Definition date:	2021-08-19
Last modified:	2023-05-15
Release date:	2022-09-21
Identifier:	2-azanyl-5-[3-[(2~{R})-morpholin-2-yl]phenyl]benzenecarbonitrile

7QI

7QI
Name:	2-azanyl-5-[3-[(3R)-morpholin-3-yl]phenyl]benzenecarbonitrile
Formula:	C17 H17 N3 O
SMILES:	Nc1ccc(cc1C#N)c2cccc(c2)[CH]3COCCN3
InChi:	InChI=1S/C17H17N3O/c18-10-15-9-13(4-5-16(15)19)12-2-1-3-14(8-12)17-11-21-7-6-20-17/h1-5,8-9,17,20H,6-7,11,19H2/t17-/m0/s1
Definition date:	2021-08-19
Last modified:	2023-05-15
Release date:	2022-09-21
Identifier:	2-azanyl-5-[3-[(3~{R})-morpholin-3-yl]phenyl]benzenecarbonitrile

R53

R53
Name:	2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-morpholin-4-yl-1,3-benzothiazole-6-carboxylic acid
Formula:	C18 H16 Cl2 N4 O4 S
SMILES:	Cc1[nH]c(C(=O)Nc2sc3cc(cc(N4CCOCC4)c3n2)C(O)=O)c(Cl)c1Cl
InChi:	InChI=1S/C18H16Cl2N4O4S/c1-8-12(19)13(20)15(21-8)16(25)23-18-22-14-10(24-2-4-28-5-3-24)6-9(17(26)27)7-11(14)29-18/h6-7,21H,2-5H2,1H3,(H,26,27)(H,22,23,25)
Definition date:	2022-11-23
Last modified:	2023-05-15
Release date:	2023-03-29
Identifier:	2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-morpholin-4-yl-1,3-benzothiazole-6-carboxylic acid

ZY8

ZY8
Name:	(4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,9,14b-hexahydro-8aH-4,8-methanobis[1]benzofuro[3,2-e:2',3'-g]isoquinoline-1,8a-diol
Formula:	C26 H25 N O4
SMILES:	OC12Cc3c(oc4ccccc43)C3Oc4c(O)ccc5CC1N(CC1CC1)CCC32c54
InChi:	InChI=1S/C26H25NO4/c28-18-8-7-15-11-20-26(29)12-17-16-3-1-2-4-19(16)30-22(17)24-25(26,21(15)23(18)31-24)9-10-27(20)13-14-5-6-14/h1-4,7-8,14,20,24,28-29H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1
Definition date:	2023-04-17
Last modified:	2023-05-12
Release date:	2023-05-17
Identifier:	(4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,9,14b-hexahydro-8aH-4,8-methanobis[1]benzofuro[3,2-e:2',3'-g]isoquinoline-1,8a-diol

E7K

E7K
Name:	7-(2,4-dimethyl-1H-imidazol-1-yl)-2-(5-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
Formula:	C27 H26 N6 S
SMILES:	Cc1cn(c(C)n1)c1cc2CN(CCc2cc1)c1ncc(Cc2ccc(cc2)n2cccn2)s1
InChi:	InChI=1S/C27H26N6S/c1-19-17-32(20(2)30-19)25-9-6-22-10-13-31(18-23(22)15-25)27-28-16-26(34-27)14-21-4-7-24(8-5-21)33-12-3-11-29-33/h3-9,11-12,15-17H,10,13-14,18H2,1-2H3
Definition date:	2021-12-03
Last modified:	2023-05-12
Release date:	2023-05-17
Identifier:	7-(2,4-dimethyl-1H-imidazol-1-yl)-2-(5-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline

GWC

GWC
Name:	2-chloranyl-5-fluoranyl-N-(4-methoxyphenyl)-N-methyl-quinazolin-4-amine
Formula:	C16 H13 Cl F N3 O
SMILES:	COc1ccc(cc1)N(C)c2nc(Cl)nc3cccc(F)c23
InChi:	InChI=1S/C16H13ClFN3O/c1-21(10-6-8-11(22-2)9-7-10)15-14-12(18)4-3-5-13(14)19-16(17)20-15/h3-9H,1-2H3
Definition date:	2022-05-18
Last modified:	2023-05-12
Release date:	2023-05-17
Identifier:	2-chloranyl-5-fluoranyl-~{N}-(4-methoxyphenyl)-~{N}-methyl-quinazolin-4-amine

GXI

GXI
Name:	2-chloranyl-7-fluoranyl-N-(4-methoxyphenyl)-N-methyl-quinazolin-4-amine
Formula:	C16 H13 Cl F N3 O
SMILES:	COc1ccc(cc1)N(C)c2nc(Cl)nc3cc(F)ccc23
InChi:	InChI=1S/C16H13ClFN3O/c1-21(11-4-6-12(22-2)7-5-11)15-13-8-3-10(18)9-14(13)19-16(17)20-15/h3-9H,1-2H3
Definition date:	2022-05-18
Last modified:	2023-05-12
Release date:	2023-05-17
Identifier:	2-chloranyl-7-fluoranyl-~{N}-(4-methoxyphenyl)-~{N}-methyl-quinazolin-4-amine

GY2

GY2
Name:	2-chloranyl-6-fluoranyl-N-(4-methoxyphenyl)-N-methyl-quinazolin-4-amine
Formula:	C16 H13 Cl F N3 O
SMILES:	COc1ccc(cc1)N(C)c2nc(Cl)nc3ccc(F)cc23
InChi:	InChI=1S/C16H13ClFN3O/c1-21(11-4-6-12(22-2)7-5-11)15-13-9-10(18)3-8-14(13)19-16(17)20-15/h3-9H,1-2H3
Definition date:	2022-05-18
Last modified:	2023-05-12
Release date:	2023-05-17
Identifier:	2-chloranyl-6-fluoranyl-~{N}-(4-methoxyphenyl)-~{N}-methyl-quinazolin-4-amine

JFI

JFI
Name:	~{N}-(2-morpholin-4-ylethyl)-4-(pyridin-4-ylmethyl)benzamide
Formula:	C19 H23 N3 O2
SMILES:	O=C(NCCN1CCOCC1)c2ccc(Cc3ccncc3)cc2
InChi:	InChI=1S/C19H23N3O2/c23-19(21-9-10-22-11-13-24-14-12-22)18-3-1-16(2-4-18)15-17-5-7-20-8-6-17/h1-8H,9-15H2,(H,21,23)
Definition date:	2022-04-26
Last modified:	2023-05-05
Release date:	2023-05-10
Identifier:	~{N}-(2-morpholin-4-ylethyl)-4-(pyridin-4-ylmethyl)benzamide

ZU6

ZU6
Name:	3-{3-[2-(methylamino)-2-oxoethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}propanoic acid
Formula:	C14 H15 N3 O4
SMILES:	O=C(O)CCC1=Nc2ccccc2C(=O)N1CC(=O)NC
InChi:	InChI=1S/C14H15N3O4/c1-15-12(18)8-17-11(6-7-13(19)20)16-10-5-3-2-4-9(10)14(17)21/h2-5H,6-8H2,1H3,(H,15,18)(H,19,20)
Definition date:	2023-04-03
Last modified:	2023-04-28
Release date:	2023-05-03
Identifier:	3-{3-[2-(methylamino)-2-oxoethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}propanoic acid

ZU9

ZU9
Name:	3-{3-[2-(benzylamino)-2-oxoethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}propanoic acid
Formula:	C20 H19 N3 O4
SMILES:	O=C(O)CCC1=Nc2ccccc2C(=O)N1CC(=O)NCc1ccccc1
InChi:	InChI=1S/C20H19N3O4/c24-18(21-12-14-6-2-1-3-7-14)13-23-17(10-11-19(25)26)22-16-9-5-4-8-15(16)20(23)27/h1-9H,10-13H2,(H,21,24)(H,25,26)
Definition date:	2023-04-03
Last modified:	2023-04-28
Release date:	2023-05-03
Identifier:	3-{3-[2-(benzylamino)-2-oxoethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}propanoic acid

ZUE

ZUE
Name:	3-[8-chloro-3-(2-{[(2-methoxyphenyl)methyl]amino}-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-2-yl]propanoic acid
Formula:	C21 H20 Cl N3 O5
SMILES:	COc1ccccc1CNC(=O)CN1C(=Nc2c(cccc2Cl)C1=O)CCC(=O)O
InChi:	InChI=1S/C21H20ClN3O5/c1-30-16-8-3-2-5-13(16)11-23-18(26)12-25-17(9-10-19(27)28)24-20-14(21(25)29)6-4-7-15(20)22/h2-8H,9-12H2,1H3,(H,23,26)(H,27,28)
Definition date:	2023-04-03
Last modified:	2023-04-28
Release date:	2023-05-03
Identifier:	3-[8-chloro-3-(2-{[(2-methoxyphenyl)methyl]amino}-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-2-yl]propanoic acid

R25

R25
Name:	propan-2-yl 2-[[4-(4-azanylpiperidin-1-yl)-2-methoxy-phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate
Formula:	C29 H34 N6 O3
SMILES:	COc1cc(ccc1Nc2ncc(C(=O)OC(C)C)c(n2)c3cn(C)c4ccccc34)N5CCC(N)CC5
InChi:	InChI=1S/C29H34N6O3/c1-18(2)38-28(36)22-16-31-29(33-27(22)23-17-34(3)25-8-6-5-7-21(23)25)32-24-10-9-20(15-26(24)37-4)35-13-11-19(30)12-14-35/h5-10,15-19H,11-14,30H2,1-4H3,(H,31,32,33)
Definition date:	2020-08-26
Last modified:	2023-04-28
Release date:	2023-05-03
Identifier:	propan-2-yl 2-[[4-(4-azanylpiperidin-1-yl)-2-methoxy-phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate

ZD3

ZD3
Name:	{(2S)-4-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperazin-2-yl}methanol
Formula:	C16 H18 F3 N3 O
SMILES:	FC(F)(F)c1cc(c2cc(C)ccc2n1)N1CC(NCC1)CO
InChi:	InChI=1S/C16H18F3N3O/c1-10-2-3-13-12(6-10)14(7-15(21-13)16(17,18)19)22-5-4-20-11(8-22)9-23/h2-3,6-7,11,20,23H,4-5,8-9H2,1H3/t11-/m0/s1
Definition date:	2023-03-08
Last modified:	2023-04-21
Release date:	2023-04-26
Identifier:	{(2S)-4-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperazin-2-yl}methanol

ZD5

ZD5
Name:	{(2R)-4-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperazin-2-yl}methanol
Formula:	C16 H18 F3 N3 O
SMILES:	FC(F)(F)c1cc(c2cc(C)ccc2n1)N1CC(NCC1)CO
InChi:	InChI=1S/C16H18F3N3O/c1-10-2-3-13-12(6-10)14(7-15(21-13)16(17,18)19)22-5-4-20-11(8-22)9-23/h2-3,6-7,11,20,23H,4-5,8-9H2,1H3/t11-/m1/s1
Definition date:	2023-03-08
Last modified:	2023-04-21
Release date:	2023-04-26
Identifier:	{(2R)-4-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperazin-2-yl}methanol

YW9

YW9
Name:	4-(3,5-dimethyl-1H-pyrazol-1-yl)aniline
Formula:	C11 H13 N3
SMILES:	Nc1ccc(cc1)n1nc(C)cc1C
InChi:	InChI=1S/C11H13N3/c1-8-7-9(2)14(13-8)11-5-3-10(12)4-6-11/h3-7H,12H2,1-2H3
Definition date:	2023-02-28
Last modified:	2023-04-21
Release date:	2023-04-26
Identifier:	4-(3,5-dimethyl-1H-pyrazol-1-yl)aniline

YXF

YXF
Name:	4-(3-ethyl-5-methyl-1H-pyrazol-1-yl)aniline
Formula:	C12 H15 N3
SMILES:	Nc1ccc(cc1)n1nc(cc1C)CC
InChi:	InChI=1S/C12H15N3/c1-3-11-8-9(2)15(14-11)12-6-4-10(13)5-7-12/h4-8H,3,13H2,1-2H3
Definition date:	2023-03-03
Last modified:	2023-04-21
Release date:	2023-04-26
Identifier:	4-(3-ethyl-5-methyl-1H-pyrazol-1-yl)aniline

YXN

YXN
Name:	4-(5-ethyl-3-methyl-1H-pyrazol-1-yl)aniline
Formula:	C12 H15 N3
SMILES:	Nc1ccc(cc1)n1nc(C)cc1CC
InChi:	InChI=1S/C12H15N3/c1-3-11-8-9(2)14-15(11)12-6-4-10(13)5-7-12/h4-8H,3,13H2,1-2H3
Definition date:	2023-03-03
Last modified:	2023-04-21
Release date:	2023-04-26
Identifier:	4-(5-ethyl-3-methyl-1H-pyrazol-1-yl)aniline

NQR

NQR
Name:	(4-methylfuro[3,2-c]quinolin-2-yl)(piperidin-1-yl)methanone
Formula:	C18 H18 N2 O2
SMILES:	Cc1nc2ccccc2c2oc(cc12)C(=O)N1CCCCC1
InChi:	InChI=1S/C18H18N2O2/c1-12-14-11-16(18(21)20-9-5-2-6-10-20)22-17(14)13-7-3-4-8-15(13)19-12/h3-4,7-8,11H,2,5-6,9-10H2,1H3
Definition date:	2022-04-07
Last modified:	2023-04-21
Release date:	2023-04-26
Identifier:	(4-methylfuro[3,2-c]quinolin-2-yl)(piperidin-1-yl)methanone

WIB

WIB
Name:	4-[bromo(dichloro)methanesulfonyl]-N-cyclohexyl-2-nitroaniline
Formula:	C13 H15 Br Cl2 N2 O4 S
SMILES:	BrC(Cl)(Cl)S(=O)(=O)c1ccc(NC2CCCCC2)c(c1)[N+]([O-])=O
InChi:	InChI=1S/C13H15BrCl2N2O4S/c14-13(15,16)23(21,22)10-6-7-11(12(8-10)18(19)20)17-9-4-2-1-3-5-9/h6-9,17H,1-5H2
Definition date:	2022-09-12
Last modified:	2023-04-14
Release date:	2023-04-19
Identifier:	4-[bromo(dichloro)methanesulfonyl]-N-cyclohexyl-2-nitroaniline

O9C

O9C
Name:	8-morpholin-4-yl-2-pyridin-3-yl-[1,3]oxazolo[5,4-f]quinoxaline
Formula:	C18 H15 N5 O2
SMILES:	C1CN(CCO1)c2cnc3ccc4nc(oc4c3n2)c5cccnc5
InChi:	InChI=1S/C18H15N5O2/c1-2-12(10-19-5-1)18-21-14-4-3-13-16(17(14)25-18)22-15(11-20-13)23-6-8-24-9-7-23/h1-5,10-11H,6-9H2
Definition date:	2022-08-31
Last modified:	2023-04-14
Release date:	2023-04-19
Identifier:	8-morpholin-4-yl-2-pyridin-3-yl-[1,3]oxazolo[5,4-f]quinoxaline

O9L

O9L
Name:	2-pyridin-3-yl-8-thiomorpholin-4-yl-[1,3]oxazolo[5,4-f]quinoxaline
Formula:	C18 H15 N5 O S
SMILES:	C1CN(CCS1)c2cnc3ccc4nc(oc4c3n2)c5cccnc5
InChi:	InChI=1S/C18H15N5OS/c1-2-12(10-19-5-1)18-21-14-4-3-13-16(17(14)24-18)22-15(11-20-13)23-6-8-25-9-7-23/h1-5,10-11H,6-9H2
Definition date:	2022-08-31
Last modified:	2023-04-14
Release date:	2023-04-19
Identifier:	2-pyridin-3-yl-8-thiomorpholin-4-yl-[1,3]oxazolo[5,4-f]quinoxaline

WK3

WK3
Name:	N-benzyl-2-(2,6-dimethylanilino)-N,N-diethyl-2-oxoethan-1-aminium
Formula:	C21 H29 N2 O
SMILES:	O=C(Nc1c(C)cccc1C)C[N+](Cc1ccccc1)(CC)CC
InChi:	InChI=1S/C21H28N2O/c1-5-23(6-2,15-19-13-8-7-9-14-19)16-20(24)22-21-17(3)11-10-12-18(21)4/h7-14H,5-6,15-16H2,1-4H3/p+1
Definition date:	2022-09-16
Last modified:	2023-04-07
Release date:	2023-04-12
Identifier:	N-benzyl-2-(2,6-dimethylanilino)-N,N-diethyl-2-oxoethan-1-aminium

JUL

JUL
Name:	7-methoxy-4-[2-(morpholin-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3,4-dihydroquinoxalin-2(1H)-one
Formula:	C20 H23 N5 O3
SMILES:	COc1cc2NC(=O)CN(c3nc(nc4CCCc34)N3CCOCC3)c2cc1
InChi:	InChI=1S/C20H23N5O3/c1-27-13-5-6-17-16(11-13)21-18(26)12-25(17)19-14-3-2-4-15(14)22-20(23-19)24-7-9-28-10-8-24/h5-6,11H,2-4,7-10,12H2,1H3,(H,21,26)
Definition date:	2022-02-02
Last modified:	2023-04-07
Release date:	2023-04-12
Identifier:	7-methoxy-4-[2-(morpholin-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3,4-dihydroquinoxalin-2(1H)-one

JV9

JV9
Name:	7-methoxy-4-[2-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3,4-dihydroquinoxalin-2(1H)-one
Formula:	C17 H19 N5 O2
SMILES:	CNc1nc2CCCc2c(n1)N1CC(=O)Nc2cc(ccc21)OC
InChi:	InChI=1S/C17H19N5O2/c1-18-17-20-12-5-3-4-11(12)16(21-17)22-9-15(23)19-13-8-10(24-2)6-7-14(13)22/h6-8H,3-5,9H2,1-2H3,(H,19,23)(H,18,20,21)
Definition date:	2022-02-02
Last modified:	2023-04-07
Release date:	2023-04-12
Identifier:	7-methoxy-4-[2-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3,4-dihydroquinoxalin-2(1H)-one

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