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YTJ

YTJ
Name:	2-{3-[3-chloro-5-(2-methoxyethoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}benzonitrile
Formula:	C26 H20 Cl N3 O3
SMILES:	N#Cc1ccccc1C1=CN(c2cnccc2)C(=O)C(=C1)c1cc(OCCOC)cc(Cl)c1
InChi:	InChI=1S/C26H20ClN3O3/c1-32-9-10-33-23-12-19(11-21(27)14-23)25-13-20(24-7-3-2-5-18(24)15-28)17-30(26(25)31)22-6-4-8-29-16-22/h2-8,11-14,16-17H,9-10H2,1H3
Definition date:	2021-03-31
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	2-{3-[3-chloro-5-(2-methoxyethoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}benzonitrile

YTM

YTM
Name:	5-{3-[3-chloro-5-(2-phenylethoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione
Formula:	C28 H21 Cl N4 O4
SMILES:	O=C1NC=C(C2=CN(c3cnccc3)C(=O)C(=C2)c2cc(OCCc3ccccc3)cc(Cl)c2)C(=O)N1
InChi:	InChI=1S/C28H21ClN4O4/c29-21-11-19(12-23(14-21)37-10-8-18-5-2-1-3-6-18)24-13-20(25-16-31-28(36)32-26(25)34)17-33(27(24)35)22-7-4-9-30-15-22/h1-7,9,11-17H,8,10H2,(H2,31,32,34,36)
Definition date:	2021-03-31
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	5-{3-[3-chloro-5-(2-phenylethoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione

YTS

YTS
Name:	5-(3-{3-chloro-5-[2-(3-oxopiperazin-1-yl)ethoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione
Formula:	C26 H23 Cl N6 O5
SMILES:	O=C1NC=C(C(=O)N1)C=1C=C(C(=O)N(C=1)c1cccnc1)c1cc(OCCN2CC(=O)NCC2)cc(Cl)c1
InChi:	InChI=1S/C26H23ClN6O5/c27-18-8-16(9-20(11-18)38-7-6-32-5-4-29-23(34)15-32)21-10-17(22-13-30-26(37)31-24(22)35)14-33(25(21)36)19-2-1-3-28-12-19/h1-3,8-14H,4-7,15H2,(H,29,34)(H2,30,31,35,37)
Definition date:	2021-03-31
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	5-(3-{3-chloro-5-[2-(3-oxopiperazin-1-yl)ethoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione

YTV

YTV
Name:	5-{3-[3-chloro-5-(3-hydroxy-3-methylbutoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione
Formula:	C25 H23 Cl N4 O5
SMILES:	CC(C)(O)CCOc1cc(cc(Cl)c1)C1=CC(=CN(c2cnccc2)C1=O)C1=CNC(=O)NC1=O
InChi:	InChI=1S/C25H23ClN4O5/c1-25(2,34)5-7-35-19-9-15(8-17(26)11-19)20-10-16(21-13-28-24(33)29-22(21)31)14-30(23(20)32)18-4-3-6-27-12-18/h3-4,6,8-14,34H,5,7H2,1-2H3,(H2,28,29,31,33)
Definition date:	2021-03-31
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	5-{3-[3-chloro-5-(3-hydroxy-3-methylbutoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione

YU4

YU4
Name:	5-{3-[3-chloro-5-(3,3,3-trifluoropropoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione
Formula:	C23 H16 Cl F3 N4 O4
SMILES:	FC(F)(F)CCOc1cc(cc(Cl)c1)C1=CC(=CN(c2cnccc2)C1=O)C1=CNC(=O)NC1=O
InChi:	InChI=1S/C23H16ClF3N4O4/c24-15-6-13(7-17(9-15)35-5-3-23(25,26)27)18-8-14(19-11-29-22(34)30-20(19)32)12-31(21(18)33)16-2-1-4-28-10-16/h1-2,4,6-12H,3,5H2,(H2,29,30,32,34)
Definition date:	2021-03-31
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	5-{3-[3-chloro-5-(3,3,3-trifluoropropoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione

UOK

UOK
Name:	2-(5-methoxy-1~{H}-indol-3-yl)ethanenitrile
Formula:	C11 H10 N2 O
SMILES:	COc1ccc2[nH]cc(CC#N)c2c1
InChi:	InChI=1S/C11H10N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4H2,1H3
Definition date:	2021-03-03
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	2-(5-methoxy-1~{H}-indol-3-yl)ethanenitrile

XWJ

XWJ
Name:	N-[3-(acetylamino)-4-methylphenyl]-3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carboxamide
Formula:	C25 H25 N5 O2
SMILES:	Cc1c(NC(C)=O)cc(cc1)NC(=O)c4ccc2c(c(nn2C)c3ccc(cc3C)N)c4
InChi:	InChI=1S/C25H25N5O2/c1-14-5-8-19(13-22(14)27-16(3)31)28-25(32)17-6-10-23-21(12-17)24(29-30(23)4)20-9-7-18(26)11-15(20)2/h5-13H,26H2,1-4H3,(H,27,31)(H,28,32)
Definition date:	2021-01-15
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	N-[3-(acetylamino)-4-methylphenyl]-3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carboxamide

XWP

XWP
Name:	N~1~-(5-{[3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carbonyl]amino}-2-methylphenyl)-N~4~-methylbenzene-1,4-dicarboxamide
Formula:	C32 H30 N6 O3
SMILES:	CNC(c1ccc(cc1)C(Nc2cc(ccc2C)NC(c5ccc4c(c(c3ccc(cc3C)N)nn4C)c5)=O)=O)=O
InChi:	InChI=1S/C32H30N6O3/c1-18-5-12-24(17-27(18)36-31(40)21-8-6-20(7-9-21)30(39)34-3)35-32(41)22-10-14-28-26(16-22)29(37-38(28)4)25-13-11-23(33)15-19(25)2/h5-17H,33H2,1-4H3,(H,34,39)(H,35,41)(H,36,40)
Definition date:	2021-01-17
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	N~1~-(5-{[3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carbonyl]amino}-2-methylphenyl)-N~4~-methylbenzene-1,4-dicarboxamide

VYJ

VYJ
Name:	11-cyclopentyl-2-({2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
Formula:	C36 H46 N8 O3
SMILES:	C1(CCN(CC1)C(c6cc(c(Nc4ncc3N(C(=O)c2ccccc2N(c3n4)C5CCCC5)C)cc6)OCC)=O)N7CCN(C)CC7
InChi:	InChI=1S/C36H46N8O3/c1-4-47-32-23-25(34(45)43-17-15-26(16-18-43)42-21-19-40(2)20-22-42)13-14-29(32)38-36-37-24-31-33(39-36)44(27-9-5-6-10-27)30-12-8-7-11-28(30)35(46)41(31)3/h7-8,11-14,23-24,26-27H,4-6,9-10,15-22H2,1-3H3,(H,37,38,39)
Definition date:	2020-09-21
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	11-cyclopentyl-2-({2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one

S8Q

S8Q
Name:	2-[(~{Z})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-[(2~{S},6~{S})-2,6-dimethylmorpholin-4-yl]ethanone
Formula:	C22 H32 N2 O5
SMILES:	COc1ccc(cc1OC2CCCC2)C(C)=NOCC(=O)N3C[CH](C)O[CH](C)C3
InChi:	InChI=1S/C22H32N2O5/c1-15-12-24(13-16(2)28-15)22(25)14-27-23-17(3)18-9-10-20(26-4)21(11-18)29-19-7-5-6-8-19/h9-11,15-16,19H,5-8,12-14H2,1-4H3/b23-17-/t15-,16-/m0/s1
Definition date:	2020-11-11
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	2-[(~{Z})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-[(2~{S},6~{S})-2,6-dimethylmorpholin-4-yl]ethanone

WZ7

WZ7
Name:	2-[(cyclopent-3-en-1-yl)amino]pyridine-4-carboxamide
Formula:	C11 H13 N3 O
SMILES:	c2cnc(NC1CC=CC1)cc2C(=O)N
InChi:	InChI=1S/C11H13N3O/c12-11(15)8-5-6-13-10(7-8)14-9-3-1-2-4-9/h1-2,5-7,9H,3-4H2,(H2,12,15)(H,13,14)
Definition date:	2020-11-18
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	2-[(cyclopent-3-en-1-yl)amino]pyridine-4-carboxamide

WZM

WZM
Name:	6-[cyclobutyl(methyl)amino]pyridazine-3-carboxamide
Formula:	C10 H14 N4 O
SMILES:	c1(ccc(nn1)N(C)C2CCC2)C(=O)N
InChi:	InChI=1S/C10H14N4O/c1-14(7-3-2-4-7)9-6-5-8(10(11)15)12-13-9/h5-7H,2-4H2,1H3,(H2,11,15)
Definition date:	2020-11-19
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	6-[cyclobutyl(methyl)amino]pyridazine-3-carboxamide

WZP

WZP
Name:	2-methyl-1-[4-(propan-2-yl)piperazin-1-yl]propan-1-one
Formula:	C11 H22 N2 O
SMILES:	C1CN(C(C(C)C)=O)CCN1C(C)C
InChi:	InChI=1S/C11H22N2O/c1-9(2)11(14)13-7-5-12(6-8-13)10(3)4/h9-10H,5-8H2,1-4H3
Definition date:	2020-11-19
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	2-methyl-1-[4-(propan-2-yl)piperazin-1-yl]propan-1-one

WZS

WZS
Name:	1-{4-[(2-phenylethyl)amino]piperidin-1-yl}ethan-1-one
Formula:	C15 H22 N2 O
SMILES:	c2c(CCNC1CCN(C(C)=O)CC1)cccc2
InChi:	InChI=1S/C15H22N2O/c1-13(18)17-11-8-15(9-12-17)16-10-7-14-5-3-2-4-6-14/h2-6,15-16H,7-12H2,1H3
Definition date:	2020-11-19
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	1-{4-[(2-phenylethyl)amino]piperidin-1-yl}ethan-1-one

HKP

HKP
Name:	(7R)-8-cyclopentyl-7-(cyclopentylmethyl)-2-[(3,5-dichloro-4-hydroxyphenyl)amino]-5-methyl-7,8-dihydropteridin-6(5H)-one
Formula:	C24 H29 Cl2 N5 O2
SMILES:	c42c(N(C(C(CC1CCCC1)N2C3CCCC3)=O)C)cnc(n4)Nc5cc(Cl)c(c(c5)Cl)O
InChi:	InChI=1S/C24H29Cl2N5O2/c1-30-20-13-27-24(28-15-11-17(25)21(32)18(26)12-15)29-22(20)31(16-8-4-5-9-16)19(23(30)33)10-14-6-2-3-7-14/h11-14,16,19,32H,2-10H2,1H3,(H,27,28,29)/t19-/m1/s1
Definition date:	2018-07-10
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	(7R)-8-cyclopentyl-7-(cyclopentylmethyl)-2-[(3,5-dichloro-4-hydroxyphenyl)amino]-5-methyl-7,8-dihydropteridin-6(5H)-one

V4V

V4V
Name:	7-{[3-({[(pyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
Formula:	C23 H22 N4 O
SMILES:	c4(N)ccc1c(cc(cc1)COc2cc(ccc2)CNCc3ccccn3)n4
InChi:	InChI=1S/C23H22N4O/c24-23-10-9-19-8-7-18(13-22(19)27-23)16-28-21-6-3-4-17(12-21)14-25-15-20-5-1-2-11-26-20/h1-13,25H,14-16H2,(H2,24,27)
Definition date:	2020-06-26
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	7-{[3-({[(pyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine

S9W

S9W
Name:	~{N}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-4-methanoyl-oxane-4-carboxamide
Formula:	C25 H30 Br N3 O3
SMILES:	Brc1ccc(CN2CCN(CC2)Cc3cccc(NC(=O)C4(CCOCC4)C=O)c3)cc1
InChi:	InChI=1S/C25H30BrN3O3/c26-22-6-4-20(5-7-22)17-28-10-12-29(13-11-28)18-21-2-1-3-23(16-21)27-24(31)25(19-30)8-14-32-15-9-25/h1-7,16,19H,8-15,17-18H2,(H,27,31)
Definition date:	2020-11-13
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	~{N}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-4-methanoyl-oxane-4-carboxamide

V4Y

V4Y
Name:	7-{[3-({[3-(6-aminopyridin-2-yl)propyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
Formula:	C25 H27 N5 O
SMILES:	c1(nc(ccc1)CCCNCc2cc(ccc2)OCc3cc4c(cc3)ccc(N)n4)N
InChi:	InChI=1S/C25H27N5O/c26-24-8-2-5-21(29-24)6-3-13-28-16-18-4-1-7-22(14-18)31-17-19-9-10-20-11-12-25(27)30-23(20)15-19/h1-2,4-5,7-12,14-15,28H,3,6,13,16-17H2,(H2,26,29)(H2,27,30)
Definition date:	2020-06-26
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	7-{[3-({[3-(6-aminopyridin-2-yl)propyl]amino}methyl)phenoxy]methyl}quinolin-2-amine

S9Z

S9Z
Name:	~{N}-[3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonylphenyl]-2-ethyl-2-methanoyl-butanamide
Formula:	C25 H30 Br N3 O3
SMILES:	CCC(CC)(C=O)C(=O)Nc1cccc(c1)C(=O)N2CCN(CC2)Cc3ccc(Br)cc3
InChi:	InChI=1S/C25H30BrN3O3/c1-3-25(4-2,18-30)24(32)27-22-7-5-6-20(16-22)23(31)29-14-12-28(13-15-29)17-19-8-10-21(26)11-9-19/h5-11,16,18H,3-4,12-15,17H2,1-2H3,(H,27,32)
Definition date:	2020-11-13
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	~{N}-[3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonylphenyl]-2-ethyl-2-methanoyl-butanamide

V54

V54
Name:	7-{[3-({[(6-aminopyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
Formula:	C23 H23 N5 O
SMILES:	c1(nc(ccc1)CNCc2cc(ccc2)OCc3cc4c(cc3)ccc(N)n4)N
InChi:	InChI=1S/C23H23N5O/c24-22-6-2-4-19(27-22)14-26-13-16-3-1-5-20(11-16)29-15-17-7-8-18-9-10-23(25)28-21(18)12-17/h1-12,26H,13-15H2,(H2,24,27)(H2,25,28)
Definition date:	2020-06-26
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	7-{[3-({[(6-aminopyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine

X0G

X0G
Name:	4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
Formula:	C10 H15 N3 O2
SMILES:	C3N(Cc1nc(no1)C2CC2)CCOC3
InChi:	InChI=1S/C10H15N3O2/c1-2-8(1)10-11-9(15-12-10)7-13-3-5-14-6-4-13/h8H,1-7H2
Definition date:	2020-11-19
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine

V57

V57
Name:	7-{[3-({[2-(pyridin-2-yl)ethyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
Formula:	C24 H24 N4 O
SMILES:	c1(nc4c(cc1)ccc(COc3cccc(CNCCc2ccccn2)c3)c4)N
InChi:	InChI=1S/C24H24N4O/c25-24-10-9-20-8-7-19(15-23(20)28-24)17-29-22-6-3-4-18(14-22)16-26-13-11-21-5-1-2-12-27-21/h1-10,12,14-15,26H,11,13,16-17H2,(H2,25,28)
Definition date:	2020-06-26
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	7-{[3-({[2-(pyridin-2-yl)ethyl]amino}methyl)phenoxy]methyl}quinolin-2-amine

X0M

X0M
Name:	N-[(3S)-1,2,3,4-tetrahydroquinolin-3-yl]acetamide
Formula:	C11 H14 N2 O
SMILES:	c2c1CC(CNc1ccc2)NC(C)=O
InChi:	InChI=1S/C11H14N2O/c1-8(14)13-10-6-9-4-2-3-5-11(9)12-7-10/h2-5,10,12H,6-7H2,1H3,(H,13,14)/t10-/m0/s1
Definition date:	2020-11-19
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	N-[(3S)-1,2,3,4-tetrahydroquinolin-3-yl]acetamide

V5D

V5D
Name:	7-{[3-({[4-(6-aminopyridin-2-yl)butyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
Formula:	C26 H29 N5 O
SMILES:	c1(N)cccc(n1)CCCCNCc2cc(ccc2)OCc4ccc3ccc(nc3c4)N
InChi:	InChI=1S/C26H29N5O/c27-25-9-4-7-22(30-25)6-1-2-14-29-17-19-5-3-8-23(15-19)32-18-20-10-11-21-12-13-26(28)31-24(21)16-20/h3-5,7-13,15-16,29H,1-2,6,14,17-18H2,(H2,27,30)(H2,28,31)
Definition date:	2020-06-26
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	7-{[3-({[4-(6-aminopyridin-2-yl)butyl]amino}methyl)phenoxy]methyl}quinolin-2-amine

V5G

V5G
Name:	7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine
Formula:	C23 H22 N4 O
SMILES:	c1(nc(ccc1)CCc2cccc(c2)OCc3cc4c(cc3)ccc(N)n4)N
InChi:	InChI=1S/C23H22N4O/c24-22-6-2-4-19(26-22)11-8-16-3-1-5-20(13-16)28-15-17-7-9-18-10-12-23(25)27-21(18)14-17/h1-7,9-10,12-14H,8,11,15H2,(H2,24,26)(H2,25,27)
Definition date:	2020-06-26
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine

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