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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

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

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

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

P2R

P2R
Name:	N-[(2-aminoquinolin-7-yl)methyl]-9-(2-hydroxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-6-carboxamide
Formula:	C25 H26 N4 O2
SMILES:	Nc1nc2cc(ccc2cc1)CNC(=O)c1cc2c(cc1)n(CCO)c1CCCCc21
InChi:	InChI=1S/C25H26N4O2/c26-24-10-8-17-6-5-16(13-21(17)28-24)15-27-25(31)18-7-9-23-20(14-18)19-3-1-2-4-22(19)29(23)11-12-30/h5-10,13-14,30H,1-4,11-12,15H2,(H2,26,28)(H,27,31)
Definition date:	2022-05-24
Last modified:	2023-04-07
Release date:	2023-04-12
Identifier:	N-[(2-aminoquinolin-7-yl)methyl]-9-(2-hydroxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-6-carboxamide

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

OJU

OJU
Name:	2-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxyethyl-[3-(2-chloranylethanoylamino)propyl]-dimethyl-azanium
Formula:	C18 H33 Cl N5 O12 P2
SMILES:	C[N+](C)(CCCNC(=O)CCl)CCO[P](O)(=O)O[P](O)(=O)OCC1OC(C(O)C1O)N2C=CC(=NC2=O)N
InChi:	InChI=1S/C18H32ClN5O12P2/c1-24(2,7-3-5-21-14(25)10-19)8-9-33-37(29,30)36-38(31,32)34-11-12-15(26)16(27)17(35-12)23-6-4-13(20)22-18(23)28/h4,6,12,15-17,26-27H,3,5,7-11H2,1-2H3,(H4-,20,21,22,25,28,29,30,31,32)/p+1
Synonyms:	Cytidine-diphosphate with a thiol-reactive chloroacetamide (cross-linker)
Definition date:	2022-09-13
Last modified:	2023-04-07
Release date:	2023-04-12
Identifier:	2-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxyethyl-[3-(2-chloranylethanoylamino)propyl]-dimethyl-azanium

N5R

N5R
Name:	8-(4-chloroanilino)naphthalene-1-sulfonic acid
Formula:	C16 H12 Cl N O3 S
SMILES:	Clc1ccc(Nc2cccc3cccc(c23)S(=O)(=O)O)cc1
InChi:	InChI=1S/C16H12ClNO3S/c17-12-7-9-13(10-8-12)18-14-5-1-3-11-4-2-6-15(16(11)14)22(19,20)21/h1-10,18H,(H,19,20,21)
Definition date:	2022-03-24
Last modified:	2023-04-07
Release date:	2023-04-12
Identifier:	8-(4-chloroanilino)naphthalene-1-sulfonic acid

AI4

AI4
Name:	4-[1-[3-[4-[(4-fluoranyl-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-quinazolin-7-yl]oxypropyl]piperidin-4-yl]benzamide
Formula:	C33 H34 F N5 O4
SMILES:	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN5CCC(CC5)c6ccc(cc6)C(N)=O
InChi:	InChI=1S/C33H34FN5O4/c1-20-16-24-26(38-20)8-9-28(31(24)34)43-33-25-17-29(41-2)30(18-27(25)36-19-37-33)42-15-3-12-39-13-10-22(11-14-39)21-4-6-23(7-5-21)32(35)40/h4-9,16-19,22,38H,3,10-15H2,1-2H3,(H2,35,40)
Definition date:	2022-03-16
Last modified:	2023-04-07
Release date:	2023-04-12
Identifier:	4-[1-[3-[4-[(4-fluoranyl-2-methyl-1~{H}-indol-5-yl)oxy]-6-methoxy-quinazolin-7-yl]oxypropyl]piperidin-4-yl]benzamide

F4I

F4I
Name:	(2~{S})-2-[[(2~{S})-2-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-[2,4,8-tris(oxidanylidene)-1,9-dihydropyrimido[4,5-b]quinolin-10-yl]pentoxy]phosphoryl]oxypropanoyl]amino]pentanedioic acid
Formula:	C24 H29 N4 O15 P
SMILES:	O=C(O)C(CCC(=O)O)NC(=O)C(C)OP(=O)(O)OCC(O)C(O)C(O)CN1C=2NC(=O)NC(=O)C=2C=C2C=CC(=O)C=C21
InChi:	InChI=1S/C24H29N4O15P/c1-10(21(35)25-14(23(37)38)4-5-18(32)33)43-44(40,41)42-9-17(31)19(34)16(30)8-28-15-7-12(29)3-2-11(15)6-13-20(28)26-24(39)27-22(13)36/h2-3,6-7,10,14,16-17,19,30-31,34H,4-5,8-9H2,1H3,(H,25,35)(H,32,33)(H,37,38)(H,40,41)(H2,26,27,36,39)/t10-,14-,16-,17+,19-/m0/s1
Synonyms:	Coeznyme F420-1
Definition date:	2020-02-19
Last modified:	2023-04-07
Release date:	2023-04-12
Identifier:	(2S)-2-[(2S)-2-{[(R)-hydroxy({(2R,3S,4S)-2,3,4-trihydroxy-5-[(5aP)-2,4,8-trioxo-1,3,4,8-tetrahydropyrimido[4,5-b]quinolin-10(2H)-yl]pentyl}oxy)phosphoryl]oxy}propanamido]pentanedioic acid (non-preferred name)

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

JVR

JVR
Name:	4-[2-(cyclopropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
Formula:	C19 H21 N5 O2
SMILES:	COc1ccc2c(NC(=O)CN2c2nc(NC3CC3)nc3CCCc32)c1
InChi:	InChI=1S/C19H21N5O2/c1-26-12-7-8-16-15(9-12)21-17(25)10-24(16)18-13-3-2-4-14(13)22-19(23-18)20-11-5-6-11/h7-9,11H,2-6,10H2,1H3,(H,21,25)(H,20,22,23)
Definition date:	2022-02-02
Last modified:	2023-04-07
Release date:	2023-04-12
Identifier:	4-[2-(cyclopropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one

UGR

UGR
Name:	(2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-quinolin-3-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid
Formula:	C26 H26 N6 O5 S
SMILES:	N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cc(C#Cc3cnc4ccccc4c3)c5c(N)ncnc25)C(O)=O
InChi:	InChI=1S/C26H26N6O5S/c27-17(26(35)36)7-8-38-12-19-21(33)22(34)25(37-19)32-11-16(20-23(28)30-13-31-24(20)32)6-5-14-9-15-3-1-2-4-18(15)29-10-14/h1-4,9-11,13,17,19,21-22,25,33-34H,7-8,12,27H2,(H,35,36)(H2,28,30,31)/t17-,19+,21+,22+,25+/m0/s1
Definition date:	2023-02-03
Last modified:	2023-03-31
Release date:	2023-04-05
Identifier:	(2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-quinolin-3-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid

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