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F8N

F8N
Name:	~{N}-(3-imidazol-1-ylpropyl)-4-[[3-(3-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
Formula:	C26 H31 N3 O3
SMILES:	COc1cccc(c1)c2cccc(CC3(CCOCC3)C(=O)NCCCn4ccnc4)c2
InChi:	InChI=1S/C26H31N3O3/c1-31-24-8-3-7-23(18-24)22-6-2-5-21(17-22)19-26(9-15-32-16-10-26)25(30)28-11-4-13-29-14-12-27-20-29/h2-3,5-8,12,14,17-18,20H,4,9-11,13,15-16,19H2,1H3,(H,28,30)
Definition date:	2018-06-08
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	~{N}-(3-imidazol-1-ylpropyl)-4-[[3-(3-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide

F8Q

F8Q
Name:	[4-[[3-fluoranyl-2-methoxy-4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium
Formula:	C23 H26 F N2 O2
SMILES:	COc1cccc(c1)c2ccc(Nc3ccc(C[NH+](C)C)cc3)c(OC)c2F
InChi:	InChI=1S/C23H25FN2O2/c1-26(2)15-16-8-10-18(11-9-16)25-21-13-12-20(22(24)23(21)28-4)17-6-5-7-19(14-17)27-3/h5-14,25H,15H2,1-4H3/p+1
Definition date:	2018-06-08
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	[4-[[3-fluoranyl-2-methoxy-4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium

F8T

F8T
Name:	[4-[[4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium
Formula:	C22 H25 N2 O
SMILES:	COc1cccc(c1)c2ccc(Nc3ccc(C[NH+](C)C)cc3)cc2
InChi:	InChI=1S/C22H24N2O/c1-24(2)16-17-7-11-20(12-8-17)23-21-13-9-18(10-14-21)19-5-4-6-22(15-19)25-3/h4-15,23H,16H2,1-3H3/p+1
Definition date:	2018-06-08
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	[4-[[4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium

FD7

FD7
Name:	N-(2,6-diethylphenyl)-N'-(N-ethylcarbamimidoyl)urea
Formula:	C14 H22 N4 O
SMILES:	c1(c(cccc1CC)CC)NC(=O)N/C(=N)NCC
InChi:	InChI=1S/C14H22N4O/c1-4-10-8-7-9-11(5-2)12(10)17-14(19)18-13(15)16-6-3/h7-9H,4-6H2,1-3H3,(H4,15,16,17,18,19)
Definition date:	2018-03-23
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	N-(2,6-diethylphenyl)-N'-(N-ethylcarbamimidoyl)urea

FFS

FFS
Name:	N~2~-(3-chlorophenyl)-N~4~-[(furan-2-yl)methyl]quinazoline-2,4-diamine
Formula:	C19 H15 Cl N4 O
SMILES:	n2c(NCc1ccco1)c4ccccc4nc2Nc3cccc(c3)Cl
InChi:	InChI=1S/C19H15ClN4O/c20-13-5-3-6-14(11-13)22-19-23-17-9-2-1-8-16(17)18(24-19)21-12-15-7-4-10-25-15/h1-11H,12H2,(H2,21,22,23,24)
Definition date:	2018-03-28
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	N~2~-(3-chlorophenyl)-N~4~-[(furan-2-yl)methyl]quinazoline-2,4-diamine

FFV

FFV
Name:	N~2~-(3-chloro-4-fluorophenyl)-N~4~-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine
Formula:	C19 H18 Cl F N4
SMILES:	n1c(c3c(nc1Nc2ccc(c(c2)Cl)F)cccc3)NC(C)C4CC4
InChi:	InChI=1S/C19H18ClFN4/c1-11(12-6-7-12)22-18-14-4-2-3-5-17(14)24-19(25-18)23-13-8-9-16(21)15(20)10-13/h2-5,8-12H,6-7H2,1H3,(H2,22,23,24,25)/t11-/m1/s1
Definition date:	2018-03-29
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	N~2~-(3-chloro-4-fluorophenyl)-N~4~-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine

FFY

FFY
Name:	N~2~-(3-chloro-4-fluorophenyl)-N~4~-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine
Formula:	C24 H25 Cl F N5
SMILES:	n1c(c3c(nc1Nc2ccc(c(c2)Cl)F)c(ccc3)C4=CCNCC4)NC(C5CC5)C
InChi:	InChI=1S/C24H25ClFN5/c1-14(15-5-6-15)28-23-19-4-2-3-18(16-9-11-27-12-10-16)22(19)30-24(31-23)29-17-7-8-21(26)20(25)13-17/h2-4,7-9,13-15,27H,5-6,10-12H2,1H3,(H2,28,29,30,31)/t14-/m1/s1
Definition date:	2018-03-29
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	N~2~-(3-chloro-4-fluorophenyl)-N~4~-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine

FGD

FGD
Name:	N-(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl]amino}benzene-1-carbonyl)-D-glutamic acid
Formula:	C21 H21 N5 O6
SMILES:	c1c(ccc(c1)NCc2cc3c(cc2)NC(N)=NC3=O)C(NC(C(=O)O)CCC(=O)O)=O
InChi:	InChI=1S/C21H21N5O6/c22-21-25-15-6-1-11(9-14(15)19(30)26-21)10-23-13-4-2-12(3-5-13)18(29)24-16(20(31)32)7-8-17(27)28/h1-6,9,16,23H,7-8,10H2,(H,24,29)(H,27,28)(H,31,32)(H3,22,25,26,30)/t16-/m1/s1
Definition date:	2018-03-29
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	N-(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl]amino}benzene-1-carbonyl)-D-glutamic acid

FGE

FGE
Name:	~{N}-[4-methyl-5-(1-oxidanylidene-7-sulfamoyl-isoindol-5-yl)-1,3-thiazol-2-yl]ethanamide
Formula:	C14 H12 N4 O4 S2
SMILES:	CC(=O)Nc1sc(c(C)n1)c2cc3C=NC(=O)c3c(c2)[S](N)(=O)=O
InChi:	InChI=1S/C14H12N4O4S2/c1-6-12(23-14(17-6)18-7(2)19)8-3-9-5-16-13(20)11(9)10(4-8)24(15,21)22/h3-5H,1-2H3,(H2,15,21,22)(H,17,18,19)
Definition date:	2018-06-28
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	~{N}-[4-methyl-5-(1-oxidanylidene-7-sulfamoyl-isoindol-5-yl)-1,3-thiazol-2-yl]ethanamide

J2N

J2N
Name:	(3~{S})-~{N}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide
Formula:	C13 H16 N4 O2
SMILES:	NC(=N)c1ccc(NC(=O)[CH]2CCCNC2=O)cc1
InChi:	InChI=1S/C13H16N4O2/c14-11(15)8-3-5-9(6-4-8)17-13(19)10-2-1-7-16-12(10)18/h3-6,10H,1-2,7H2,(H3,14,15)(H,16,18)(H,17,19)/t10-/m0/s1
Definition date:	2019-01-16
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	(3~{S})-~{N}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide

J3B

J3B
Name:	(3~{R})-~{N}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide
Formula:	C13 H16 N4 O2
SMILES:	NC(=N)c1ccc(NC(=O)[CH]2CCCNC2=O)cc1
InChi:	InChI=1S/C13H16N4O2/c14-11(15)8-3-5-9(6-4-8)17-13(19)10-2-1-7-16-12(10)18/h3-6,10H,1-2,7H2,(H3,14,15)(H,16,18)(H,17,19)/t10-/m1/s1
Definition date:	2019-01-17
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	(3~{R})-~{N}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide

BOQ

BOQ
Name:	ethyl 2-(aminomethyl)-5-~{tert}-butyl-furan-3-carboxylate
Formula:	C12 H19 N O3
SMILES:	CCOC(=O)c1cc(oc1CN)C(C)(C)C
InChi:	InChI=1S/C12H19NO3/c1-5-15-11(14)8-6-10(12(2,3)4)16-9(8)7-13/h6H,5,7,13H2,1-4H3
Definition date:	2017-10-12
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	ethyl 2-(aminomethyl)-5-~{tert}-butyl-furan-3-carboxylate

BPW

BPW
Name:	3-(4-chlorophenyl)propan-1-amine
Formula:	C9 H12 Cl N
SMILES:	NCCCc1ccc(Cl)cc1
InChi:	InChI=1S/C9H12ClN/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6H,1-2,7,11H2
Definition date:	2017-10-12
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	3-(4-chlorophenyl)propan-1-amine

BQ2

BQ2
Name:	1-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-2-oxidanyl-ethanone
Formula:	C11 H13 N O2
SMILES:	OCC(=O)N1CCc2ccccc2C1
InChi:	InChI=1S/C11H13NO2/c13-8-11(14)12-6-5-9-3-1-2-4-10(9)7-12/h1-4,13H,5-8H2
Definition date:	2017-10-12
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	1-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-2-oxidanyl-ethanone

BQ5

BQ5
Name:	(1-phenyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)methanamine
Formula:	C13 H15 N3
SMILES:	NCc1nn(c2ccccc2)c3CCCc13
InChi:	InChI=1S/C13H15N3/c14-9-12-11-7-4-8-13(11)16(15-12)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,14H2
Definition date:	2017-10-12
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	(1-phenyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)methanamine

3BO

3BO
Name:	1H-indol-3-ylacetonitrile
Formula:	C10 H8 N2
SMILES:	N#CCc2c1ccccc1nc2
InChi:	InChI=1S/C10H8N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5H2
Definition date:	2014-07-18
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	1H-indol-3-ylacetonitrile

AWT

AWT
Name:	6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[3-(1~{H}-pyrazol-4-yl)phenyl]ethyl]quinazolin-4-amine
Formula:	C22 H23 N5 O2
SMILES:	COc1cc2nc(C)nc(N[CH](C)c3cccc(c3)c4c[nH]nc4)c2cc1OC
InChi:	InChI=1S/C22H23N5O2/c1-13(15-6-5-7-16(8-15)17-11-23-24-12-17)25-22-18-9-20(28-3)21(29-4)10-19(18)26-14(2)27-22/h5-13H,1-4H3,(H,23,24)(H,25,26,27)/t13-/m1/s1
Definition date:	2017-08-29
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[3-(1~{H}-pyrazol-4-yl)phenyl]ethyl]quinazolin-4-amine

AWW

AWW
Name:	[2-[5-[(1~{R})-1-[(6,7-dimethoxy-2-methyl-5,8-dihydroquinazolin-4-yl)amino]ethyl]thiophen-2-yl]phenyl]methanol
Formula:	C24 H27 N3 O3 S
SMILES:	COC1=C(Cc2c(C1)nc(C)nc2N[CH](C)c3sc(cc3)c4ccccc4CO)OC
InChi:	InChI=1S/C24H27N3O3S/c1-14(22-9-10-23(31-22)17-8-6-5-7-16(17)13-28)25-24-18-11-20(29-3)21(30-4)12-19(18)26-15(2)27-24/h5-10,14,28H,11-13H2,1-4H3,(H,25,26,27)/t14-/m1/s1
Definition date:	2017-08-29
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	[2-[5-[(1~{R})-1-[(6,7-dimethoxy-2-methyl-5,8-dihydroquinazolin-4-yl)amino]ethyl]thiophen-2-yl]phenyl]methanol

AWZ

AWZ
Name:	~{N}-[(1~{R})-1-[5-(6,7-dihydro-5~{H}-pyrrolo[1,2-a]imidazol-3-yl)thiophen-2-yl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine
Formula:	C23 H25 N5 O2 S
SMILES:	COc1cc2nc(C)nc(N[CH](C)c3sc(cc3)c4cnc5CCCn45)c2cc1OC
InChi:	InChI=1S/C23H25N5O2S/c1-13(20-7-8-21(31-20)17-12-24-22-6-5-9-28(17)22)25-23-15-10-18(29-3)19(30-4)11-16(15)26-14(2)27-23/h7-8,10-13H,5-6,9H2,1-4H3,(H,25,26,27)/t13-/m1/s1
Definition date:	2017-08-29
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	~{N}-[(1~{R})-1-[5-(6,7-dihydro-5~{H}-pyrrolo[1,2-a]imidazol-3-yl)thiophen-2-yl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine

AXE

AXE
Name:	6,7-dimethoxy-~{N}-[(1~{R})-1-naphthalen-1-ylethyl]quinazolin-4-amine
Formula:	C22 H21 N3 O2
SMILES:	COc1cc2ncnc(N[CH](C)c3cccc4ccccc34)c2cc1OC
InChi:	InChI=1S/C22H21N3O2/c1-14(16-10-6-8-15-7-4-5-9-17(15)16)25-22-18-11-20(26-2)21(27-3)12-19(18)23-13-24-22/h4-14H,1-3H3,(H,23,24,25)/t14-/m1/s1
Definition date:	2017-08-29
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	6,7-dimethoxy-~{N}-[(1~{R})-1-naphthalen-1-ylethyl]quinazolin-4-amine

AXH

AXH
Name:	6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine
Formula:	C25 H28 N4 O2 S
SMILES:	CNCc1ccccc1c2csc(c2)[CH](C)Nc3nc(C)nc4cc(OC)c(OC)cc34
InChi:	InChI=1S/C25H28N4O2S/c1-15(24-10-18(14-32-24)19-9-7-6-8-17(19)13-26-3)27-25-20-11-22(30-4)23(31-5)12-21(20)28-16(2)29-25/h6-12,14-15,26H,13H2,1-5H3,(H,27,28,29)/t15-/m1/s1
Definition date:	2017-08-29
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine

JXP

JXP
Name:	7-[(4-chloro-3'-fluoro[1,1'-biphenyl]-3-yl)methoxy]-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
Formula:	C18 H13 Cl F N5 O
SMILES:	c1(cccc(c1)F)c2cc(c(cc2)Cl)COc4cc(nc3c4nnn3)N
InChi:	InChI=1S/C18H13ClFN5O/c19-14-5-4-11(10-2-1-3-13(20)7-10)6-12(14)9-26-15-8-16(21)22-18-17(15)23-25-24-18/h1-8H,9H2,(H3,21,22,23,24,25)
Definition date:	2018-10-09
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	7-[(4-chloro-3'-fluoro[1,1'-biphenyl]-3-yl)methoxy]-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine

JXS

JXS
Name:	7-{[3-(1-methyl-1H-pyrazol-3-yl)phenyl]methoxy}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
Formula:	C16 H15 N7 O
SMILES:	c3c(COc2cc(nc1nnnc12)N)cccc3c4ccn(C)n4
InChi:	InChI=1S/C16H15N7O/c1-23-6-5-12(21-23)11-4-2-3-10(7-11)9-24-13-8-14(17)18-16-15(13)19-22-20-16/h2-8H,9H2,1H3,(H3,17,18,19,20,22)
Definition date:	2018-10-09
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	7-{[3-(1-methyl-1H-pyrazol-3-yl)phenyl]methoxy}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine

KC1

KC1
Name:	Chlorophyll c1
Formula:	C35 H30 Mg N4 O5
SMILES:	N16C=3C(=C(C1=CC=7C(=C(C(=Cc2n(c5c(c2C)C(C(C(=O)OC)C5=C4C(=C(C(C=3)=N4)C)C=CC(=O)O)=O)[Mg]6)N=7)CC)C)C=C)C
InChi:	InChI=1S/C35H32N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22
Definition date:	2018-10-17
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	(2E)-3-[(21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3,4-didehydrophorbin-3-yl-kappa~2~N~23~,N~25~]prop-2-enoato(2-)magnesium

KC2

KC2
Name:	Chlorophyll c2
Formula:	C35 H28 Mg N4 O5
SMILES:	N16C=3C(=C(C1=CC=7C(=C(C(=Cc2n(c5c(c2C)C(C(C(=O)OC)C5=C4C(=C(C(C=3)=N4)C)C=CC(=O)O)=O)[Mg]6)N=7)C=C)C)C=C)C
InChi:	InChI=1S/C35H30N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22
Definition date:	2018-10-17
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	(2E)-3-[(21R)-9,14-diethenyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3,4-didehydrophorbin-3-yl-kappa~2~N~23~,N~25~]prop-2-enoato(2-)magnesium

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