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B4Z

B4Z
Name:	~{N}-[2-[(phenylmethyl)amino]ethyl]isoquinoline-5-sulfonamide
Formula:	C18 H19 N3 O2 S
SMILES:	O=[S](=O)(NCCNCc1ccccc1)c2cccc3cnccc23
InChi:	InChI=1S/C18H19N3O2S/c22-24(23,18-8-4-7-16-14-19-10-9-17(16)18)21-12-11-20-13-15-5-2-1-3-6-15/h1-10,14,20-21H,11-13H2
Definition date:	2017-09-13
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	~{N}-[2-[(phenylmethyl)amino]ethyl]isoquinoline-5-sulfonamide

JGG

JGG
Name:	N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide
Formula:	C13 H15 N3 O2
SMILES:	C2CN(C(NCc1ccc(C#N)cc1)=O)CCO2
InChi:	InChI=1S/C13H15N3O2/c14-9-11-1-3-12(4-2-11)10-15-13(17)16-5-7-18-8-6-16/h1-4H,5-8,10H2,(H,15,17)
Definition date:	2018-09-10
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide

JGV

JGV
Name:	(2,3-dihydro-1,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone
Formula:	C11 H13 N3 O2 S
SMILES:	C3N(C(c1ccc2c(c1)NNS2)=O)CCOC3
InChi:	InChI=1S/C11H13N3O2S/c15-11(14-3-5-16-6-4-14)8-1-2-10-9(7-8)12-13-17-10/h1-2,7,12-13H,3-6H2
Definition date:	2018-09-10
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	(2,3-dihydro-1,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone

JHA

JHA
Name:	3-chloro-4-(4-methylpiperidin-1-yl)aniline
Formula:	C12 H17 Cl N2
SMILES:	c1cc(c(cc1N)Cl)N2CCC(C)CC2
InChi:	InChI=1S/C12H17ClN2/c1-9-4-6-15(7-5-9)12-3-2-10(14)8-11(12)13/h2-3,8-9H,4-7,14H2,1H3
Definition date:	2018-09-10
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	3-chloro-4-(4-methylpiperidin-1-yl)aniline

JJG

JJG
Name:	4-[2-(phenylsulfanyl)ethyl]morpholine
Formula:	C12 H17 N O S
SMILES:	C1COCCN1CCSc2ccccc2
InChi:	InChI=1S/C12H17NOS/c1-2-4-12(5-3-1)15-11-8-13-6-9-14-10-7-13/h1-5H,6-11H2
Definition date:	2018-09-10
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	4-[2-(phenylsulfanyl)ethyl]morpholine

JP4

JP4
Name:	[2-(morpholin-4-yl)phenyl]methanol
Formula:	C11 H15 N O2
SMILES:	C1COCCN1c2ccccc2CO
InChi:	InChI=1S/C11H15NO2/c13-9-10-3-1-2-4-11(10)12-5-7-14-8-6-12/h1-4,13H,5-9H2
Definition date:	2018-09-12
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	[2-(morpholin-4-yl)phenyl]methanol

9OF

9OF
Name:	8-methoxy-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4-amine
Formula:	C15 H17 N3 O
SMILES:	c23c(c1ccc(cc1CC2(C)C)OC)ncnc3N
InChi:	InChI=1S/C15H17N3O/c1-15(2)7-9-6-10(19-3)4-5-11(9)13-12(15)14(16)18-8-17-13/h4-6,8H,7H2,1-3H3,(H2,16,17,18)
Definition date:	2018-06-14
Last modified:	2018-09-28
Release date:	2018-10-03
Identifier:	8-methoxy-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4-amine

9OL

9OL
Name:	5,5-dimethyl-8-[1-(piperidin-4-yl)ethenyl]-5,6-dihydrobenzo[h]quinazolin-4-amine
Formula:	C21 H26 N4
SMILES:	c14c(ccc(c1)/C(=C)C2CCNCC2)c3c(c(ncn3)N)C(C4)(C)C
InChi:	InChI=1S/C21H26N4/c1-13(14-6-8-23-9-7-14)15-4-5-17-16(10-15)11-21(2,3)18-19(17)24-12-25-20(18)22/h4-5,10,12,14,23H,1,6-9,11H2,2-3H3,(H2,22,24,25)
Definition date:	2018-06-14
Last modified:	2018-09-28
Release date:	2018-10-03
Identifier:	5,5-dimethyl-8-[1-(piperidin-4-yl)ethenyl]-5,6-dihydrobenzo[h]quinazolin-4-amine

9M3

9M3
Name:	N-[3-(4-amino-6-{[4-(morpholine-4-carbonyl)phenyl]amino}-1,3,5-triazin-2-yl)-2-methylphenyl]-4-tert-butylbenzamide
Formula:	C32 H35 N7 O3
SMILES:	c1cc(c(C)c(c1)NC(=O)c2ccc(C(C)(C)C)cc2)c3nc(nc(n3)Nc4ccc(cc4)C(=O)N5CCOCC5)N
InChi:	InChI=1S/C32H35N7O3/c1-20-25(6-5-7-26(20)35-28(40)21-8-12-23(13-9-21)32(2,3)4)27-36-30(33)38-31(37-27)34-24-14-10-22(11-15-24)29(41)39-16-18-42-19-17-39/h5-15H,16-19H2,1-4H3,(H,35,40)(H3,33,34,36,37,38)
Definition date:	2018-05-31
Last modified:	2018-09-21
Release date:	2018-09-26
Identifier:	N-[3-(4-amino-6-{[4-(morpholine-4-carbonyl)phenyl]amino}-1,3,5-triazin-2-yl)-2-methylphenyl]-4-tert-butylbenzamide

FZH

FZH
Name:	8-[[(1~{S},2~{R},3~{R},5~{R})-2-[2-[1,1-bis(oxidanylidene)thian-4-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1~{H}-quinolin-2-one
Formula:	C30 H38 N4 O3 S
SMILES:	Cc1cncc(c1)c2ccc(N[CH]3C[CH]4CC[CH](N4)[CH]3CCC5CC[S](=O)(=O)CC5)c6NC(=O)C(=Cc26)C
InChi:	InChI=1S/C30H38N4O3S/c1-18-13-21(17-31-16-18)23-6-8-27(29-25(23)14-19(2)30(35)34-29)33-28-15-22-4-7-26(32-22)24(28)5-3-20-9-11-38(36,37)12-10-20/h6,8,13-14,16-17,20,22,24,26,28,32-33H,3-5,7,9-12,15H2,1-2H3,(H,34,35)/t22-,24-,26+,28-/m1/s1
Definition date:	2018-08-20
Last modified:	2018-09-21
Release date:	2018-09-26
Identifier:	8-[[(1~{S},2~{R},3~{R},5~{R})-2-[2-[1,1-bis(oxidanylidene)thian-4-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1~{H}-quinolin-2-one

F5Q

F5Q
Name:	4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-(6-pyrrolidin-1-ylquinolin-5-yl)benzenesulfonamide
Formula:	C29 H38 N4 O2 S
SMILES:	CN1CCC(CCCCc2ccc(cc2)[S](=O)(=O)Nc3c(ccc4ncccc34)N5CCCC5)CC1
InChi:	InChI=1S/C29H38N4O2S/c1-32-21-16-24(17-22-32)8-3-2-7-23-10-12-25(13-11-23)36(34,35)31-29-26-9-6-18-30-27(26)14-15-28(29)33-19-4-5-20-33/h6,9-15,18,24,31H,2-5,7-8,16-17,19-22H2,1H3
Definition date:	2018-06-01
Last modified:	2018-09-21
Release date:	2018-09-26
Identifier:	4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-(6-pyrrolidin-1-ylquinolin-5-yl)benzenesulfonamide

F5Z

F5Z
Name:	4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-[6-(2-methylpropyl)quinolin-5-yl]benzenesulfonamide
Formula:	C29 H39 N3 O2 S
SMILES:	CC(C)Cc1ccc2ncccc2c1N[S](=O)(=O)c3ccc(CCCCC4CCN(C)CC4)cc3
InChi:	InChI=1S/C29H39N3O2S/c1-22(2)21-25-12-15-28-27(9-6-18-30-28)29(25)31-35(33,34)26-13-10-23(11-14-26)7-4-5-8-24-16-19-32(3)20-17-24/h6,9-15,18,22,24,31H,4-5,7-8,16-17,19-21H2,1-3H3
Definition date:	2018-06-01
Last modified:	2018-09-21
Release date:	2018-09-26
Identifier:	4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-[6-(2-methylpropyl)quinolin-5-yl]benzenesulfonamide

9F0

9F0
Name:	4-[1-(2,5,8-triazonia-1$l^4-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]-N,N-bis[4-[1-(2,5,8-triazonia-1$l^4-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]phenyl]aniline
Formula:	C45 H63 N13 Pt3
SMILES:	NCCNCCN.NCCNCCN.NCCNCCN.[Pt][n+]1ccc(cc1)c2ccc(cc2)N(c3ccc(cc3)c4cc[n+]([Pt])cc4)c5ccc(cc5)c6cc[n+]([Pt])cc6
InChi:	InChI=1S/C33H24N4.3C4H13N3.3Pt/c1-7-31(8-2-25(1)28-13-19-34-20-14-28)37(32-9-3-26(4-10-32)29-15-21-35-22-16-29)33-11-5-27(6-12-33)30-17-23-36-24-18-30
Definition date:	2018-03-31
Last modified:	2018-09-14
Release date:	2018-09-19
Identifier:	4-[1-(2,5,8-triazonia-1$l^{4}-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]-~{N},~{N}-bis[4-[1-(2,5,8-triazonia-1$l^{4}-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]phenyl]aniline

F82

F82
Name:	2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxy-phenyl]-~{N}-(1-propan-2-ylpyrazol-4-yl)ethanamide
Formula:	C25 H27 N5 O5
SMILES:	COc1cc(Oc2ncnc3cc(OC)c(OC)cc23)ccc1CC(=O)Nc4cnn(c4)C(C)C
InChi:	InChI=1S/C25H27N5O5/c1-15(2)30-13-17(12-28-30)29-24(31)8-16-6-7-18(9-21(16)32-3)35-25-19-10-22(33-4)23(34-5)11-20(19)26-14-27-25/h6-7,9-15H,8H2,1-5H3,(H,29,31)
Definition date:	2018-06-07
Last modified:	2018-09-14
Release date:	2018-09-19
Identifier:	2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxy-phenyl]-~{N}-(1-propan-2-ylpyrazol-4-yl)ethanamide

F88

F88
Name:	~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide
Formula:	C23 H23 N5 O4
SMILES:	CCn1cc(CC(=O)Nc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)cn1
InChi:	InChI=1S/C23H23N5O4/c1-4-28-13-15(12-26-28)9-22(29)27-16-5-7-17(8-6-16)32-23-18-10-20(30-2)21(31-3)11-19(18)24-14-25-23/h5-8,10-14H,4,9H2,1-3H3,(H,27,29)
Definition date:	2018-06-07
Last modified:	2018-09-14
Release date:	2018-09-19
Identifier:	~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide

F8B

F8B
Name:	~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide
Formula:	C23 H24 N6 O4
SMILES:	COc1cc2ncnc(Oc3ccc(NC(=O)Cn4cc(nn4)C(C)C)cc3)c2cc1OC
InChi:	InChI=1S/C23H24N6O4/c1-14(2)19-11-29(28-27-19)12-22(30)26-15-5-7-16(8-6-15)33-23-17-9-20(31-3)21(32-4)10-18(17)24-13-25-23/h5-11,13-14H,12H2,1-4H3,(H,26,30)
Definition date:	2018-06-07
Last modified:	2018-09-14
Release date:	2018-09-19
Identifier:	~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide

F8H

F8H
Name:	~{N}-[4-[[5-fluoranyl-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide
Formula:	C24 H26 F N7 O3
SMILES:	COCCOc1cc(F)c2c(Nc3ccc(NC(=O)Cn4cc(nn4)C(C)C)cc3)ncnc2c1
InChi:	InChI=1S/C24H26FN7O3/c1-15(2)21-12-32(31-30-21)13-22(33)28-16-4-6-17(7-5-16)29-24-23-19(25)10-18(35-9-8-34-3)11-20(23)26-14-27-24/h4-7,10-12,14-15H,8-9,13H2,1-3H3,(H,28,33)(H,26,27,29)
Definition date:	2018-06-07
Last modified:	2018-09-14
Release date:	2018-09-19
Identifier:	~{N}-[4-[[5-fluoranyl-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide

FJ7

FJ7
Name:	(1S,3R)-1-(3-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
Formula:	C30 H31 F N4 O3
SMILES:	c1cccc(c1N2CCN(CC2)Cc3c(OC)ccc(c3)C6c5c(c4ccccc4n5)CC(N6)C(=O)O)F
InChi:	InChI=1S/C30H31FN4O3/c1-38-27-11-10-19(16-20(27)18-34-12-14-35(15-13-34)26-9-5-3-7-23(26)31)28-29-22(17-25(33-28)30(36)37)21-6-2-4-8-24(21)32-29/h2-11,16,25,28,32-33H,12-15,17-18H2,1H3,(H,36,37)/t25-,28+/m1/s1
Definition date:	2018-04-02
Last modified:	2018-09-14
Release date:	2018-09-19
Identifier:	(1S,3R)-1-(3-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid

BXG

BXG
Name:	2-chloro-N-(6-methoxyquinolin-4-yl)-5-nitrobenzamide
Formula:	C17 H12 Cl N3 O4
SMILES:	c1(cc(ccc1Cl)[N+]([O-])=O)C(Nc2ccnc3c2cc(cc3)OC)=O
InChi:	InChI=1S/C17H12ClN3O4/c1-25-11-3-5-15-13(9-11)16(6-7-19-15)20-17(22)12-8-10(21(23)24)2-4-14(12)18/h2-9H,1H3,(H,19,20,22)
Definition date:	2017-09-01
Last modified:	2018-09-07
Release date:	2018-09-12
Identifier:	2-chloro-N-(6-methoxyquinolin-4-yl)-5-nitrobenzamide

BXJ

BXJ
Name:	N-{3-[(2R)-6-{[3-amino-4-(morpholine-4-carbonyl)phenyl]amino}-5-oxo-2,5-dihydropyrazin-2-yl]-2-methylphenyl}-4-(piperidin-1-yl)benzamide
Formula:	C34 H37 N7 O4
SMILES:	C1(=NC(C=NC1=O)c4c(c(NC(c3ccc(N2CCCCC2)cc3)=O)ccc4)C)Nc6ccc(C(N5CCOCC5)=O)c(c6)N
InChi:	InChI=1S/C34H37N7O4/c1-22-26(6-5-7-29(22)39-32(42)23-8-11-25(12-9-23)40-14-3-2-4-15-40)30-21-36-33(43)31(38-30)37-24-10-13-27(28(35)20-24)34(44)41-16-18-45-19-17-41/h5-13,20-21,30H,2-4,14-19,35H2,1H3,(H,37,38)(H,39,42)
Definition date:	2017-09-01
Last modified:	2018-09-07
Release date:	2018-09-12
Identifier:	N-{3-[(2R)-6-{[3-amino-4-(morpholine-4-carbonyl)phenyl]amino}-5-oxo-2,5-dihydropyrazin-2-yl]-2-methylphenyl}-4-(piperidin-1-yl)benzamide

BXM

BXM
Name:	4-tert-butyl-N-[2-methyl-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]benzamide
Formula:	C34 H37 N5 O4
SMILES:	c4(C=3C=C(Nc1ccc(cn1)C(=O)N2CCOCC2)C(=O)N(C=3)C)cccc(c4C)NC(=O)c5ccc(cc5)C(C)(C)C
InChi:	InChI=1S/C34H37N5O4/c1-22-27(7-6-8-28(22)37-31(40)23-9-12-26(13-10-23)34(2,3)4)25-19-29(33(42)38(5)21-25)36-30-14-11-24(20-35-30)32(41)39-15-17-43-18-16-39/h6-14,19-21H,15-18H2,1-5H3,(H,35,36)(H,37,40)
Definition date:	2017-09-01
Last modified:	2018-09-07
Release date:	2018-09-12
Identifier:	4-tert-butyl-N-[2-methyl-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]benzamide

HRY

HRY
Name:	5-(4-{[(3-chlorophenyl)methyl]amino}-2-{4-[2-(dimethylamino)ethyl]piperazin-1-yl}quinazolin-6-yl)-1-methylpyridin-2(1H)-one
Formula:	C29 H34 Cl N7 O
SMILES:	n3c2ccc(C=1C=CC(=O)N(C=1)C)cc2c(nc3N4CCN(CC4)CCN(C)C)NCc5cc(Cl)ccc5
InChi:	InChI=1S/C29H34ClN7O/c1-34(2)11-12-36-13-15-37(16-14-36)29-32-26-9-7-22(23-8-10-27(38)35(3)20-23)18-25(26)28(33-29)31-19-21-5-4-6-24(30)17-21/h4-10,17-18,20H,11-16,19H2,1-3H3,(H,31,32,33)
Definition date:	2018-07-19
Last modified:	2018-09-07
Release date:	2018-09-12
Identifier:	5-(4-{[(3-chlorophenyl)methyl]amino}-2-{4-[2-(dimethylamino)ethyl]piperazin-1-yl}quinazolin-6-yl)-1-methylpyridin-2(1H)-one

FYH

FYH
Name:	3-(morpholin-4-ylmethyl)-~{N}-[4-(trifluoromethyloxy)phenyl]benzamide
Formula:	C19 H19 F3 N2 O3
SMILES:	FC(F)(F)Oc1ccc(NC(=O)c2cccc(CN3CCOCC3)c2)cc1
InChi:	InChI=1S/C19H19F3N2O3/c20-19(21,22)27-17-6-4-16(5-7-17)23-18(25)15-3-1-2-14(12-15)13-24-8-10-26-11-9-24/h1-7,12H,8-11,13H2,(H,23,25)
Definition date:	2018-08-17
Last modified:	2018-09-07
Release date:	2018-09-12
Identifier:	3-(morpholin-4-ylmethyl)-~{N}-[4-(trifluoromethyloxy)phenyl]benzamide

CWQ

CWQ
Name:	2-[[(3~{R})-1-(2,3-dihydro-1~{H}-inden-2-yl)piperidin-3-yl]methyl-(8-oxidanylquinolin-2-yl)carbonyl-amino]ethyl-dimethyl-azanium
Formula:	C29 H37 N4 O2
SMILES:	C[NH+](C)CCN(C[CH]1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4ccc5cccc(O)c5n4
InChi:	InChI=1S/C29H36N4O2/c1-31(2)15-16-33(29(35)26-13-12-22-10-5-11-27(34)28(22)30-26)20-21-7-6-14-32(19-21)25-17-23-8-3-4-9-24(23)18-25/h3-5,8-13,21,25,34H,6-7,14-20H2,1-2H3/p+1/t21-/m1/s1
Definition date:	2017-12-12
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	2-[[(3~{R})-1-(2,3-dihydro-1~{H}-inden-2-yl)piperidin-3-yl]methyl-(8-oxidanylquinolin-2-yl)carbonyl-amino]ethyl-dimethyl-azanium

GJJ

GJJ
Name:	6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-{[4-(tert-butylcarbamoyl)phenyl]amino}pyridine-3-carboxamide
Formula:	C24 H30 N6 O3
SMILES:	c2(Nc1ccc(C(NC(C)(C)C)=O)cc1)c(C(=O)N)ccc(n2)N3CCC(NC(=O)C=C)C3
InChi:	InChI=1S/C24H30N6O3/c1-5-20(31)26-17-12-13-30(14-17)19-11-10-18(21(25)32)22(28-19)27-16-8-6-15(7-9-16)23(33)29-24(2,3)4/h5-11,17H,1,12-14H2,2-4H3,(H2,25,32)(H,26,31)(H,27,28)(H,29,33)/t17-/m0/s1
Definition date:	2018-05-23
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-{[4-(tert-butylcarbamoyl)phenyl]amino}pyridine-3-carboxamide

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223532

數據於2024-08-07公開中

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