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M46
M46
Name:7-[2-[3-(3-fluorophenyl)propylamino]ethyl]quinolin-2-amine
Formula:C20 H22 F N3
SMILES:Fc1cccc(c1)CCCNCCc2cc3nc(ccc3cc2)N
InChi:InChI=1S/C20H22FN3/c21-18-5-1-3-15(13-18)4-2-11-23-12-10-16-6-7-17-8-9-20(22)24-19(17)14-16/h1,3,5-9,13-14,23H,2,4,10-12H2,(H2,22,24)
Definition date:2013-10-08
Last modified:2014-09-05
Release date:2014-02-19
Identifier:7-(2-{[3-(3-fluorophenyl)propyl]amino}ethyl)quinolin-2-amine
5EZ
5EZ
Name:7-choro-6-[(3R)-pyrrolidin-3-ylmethoxy]isoquinolin-1(2H)-one
Formula:C14 H15 Cl N2 O2
SMILES:O=C3NC=Cc2cc(OCC1CCNC1)c(Cl)cc23
InChi:InChI=1S/C14H15ClN2O2/c15-12-6-11-10(2-4-17-14(11)18)5-13(12)19-8-9-1-3-16-7-9/h2,4-6,9,16H,1,3,7-8H2,(H,17,18)/t9-/m1/s1
Definition date:2013-02-04
Last modified:2014-09-05
Release date:2013-05-22
Identifier:7-chloro-6-[(3R)-pyrrolidin-3-ylmethoxy]isoquinolin-1(2H)-one
M48
M48
Name:7-[2-[2-(3-fluorophenyl)ethylamino]ethyl]quinolin-2-amine
Formula:C19 H20 F N3
SMILES:Fc1cccc(c1)CCNCCc2cc3nc(ccc3cc2)N
InChi:InChI=1S/C19H20FN3/c20-17-3-1-2-14(12-17)8-10-22-11-9-15-4-5-16-6-7-19(21)23-18(16)13-15/h1-7,12-13,22H,8-11H2,(H2,21,23)
Definition date:2013-11-05
Last modified:2014-09-05
Release date:2014-02-19
Identifier:7-(2-{[2-(3-fluorophenyl)ethyl]amino}ethyl)quinolin-2-amine
M68
M68
Name:7-[2-[2-(3-chlorophenyl)ethylamino]ethyl]quinolin-2-amine
Formula:C19 H20 Cl N3
SMILES:Clc1cccc(c1)CCNCCc2cc3nc(ccc3cc2)N
InChi:InChI=1S/C19H20ClN3/c20-17-3-1-2-14(12-17)8-10-22-11-9-15-4-5-16-6-7-19(21)23-18(16)13-15/h1-7,12-13,22H,8-11H2,(H2,21,23)
Definition date:2013-10-08
Last modified:2014-09-05
Release date:2014-02-19
Identifier:7-(2-{[2-(3-chlorophenyl)ethyl]amino}ethyl)quinolin-2-amine
DQ6
DQ6
Name:(2S)-2-AMINO-5-(3-METHYLPHENYL)-5,5-DIPHENYLPROPANOIC ACID
Formula:C24 H25 N O2
SMILES:O=C(O)C(N)CCC(c1ccccc1)(c2ccccc2)c3cccc(c3)C
InChi:InChI=1S/C24H25NO2/c1-18-9-8-14-21(17-18)24(16-15-22(25)23(26)27,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14,17,22H,15-16,25H2,1H3,(H,26,27)/t22-/m0/s1
Definition date:2011-10-24
Last modified:2014-09-05
Release date:2012-10-26
Identifier:5-(3-methylphenyl)-5,5-diphenyl-L-norvaline
DQ7
DQ7
Name:(2R)-2-AMINO-5-(3-METHYLPHENYL)-5,5-DIPHENYLPROPANOIC ACID
Formula:C24 H25 N O2
SMILES:O=C(O)C(N)CCC(c1ccccc1)(c2ccccc2)c3cccc(c3)C
InChi:InChI=1S/C24H25NO2/c1-18-9-8-14-21(17-18)24(16-15-22(25)23(26)27,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14,17,22H,15-16,25H2,1H3,(H,26,27)/t22-/m1/s1
Definition date:2011-10-24
Last modified:2014-09-05
Release date:2012-10-26
Identifier:5-(3-methylphenyl)-5,5-diphenyl-D-norvaline
6KZ
6KZ
Name:N-[(2S)-4-methyl-1-oxidanylidene-1-[[(1R,2S)-1-oxidanyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]amino]pentan-2-yl]morpholine-4-carboxamide
Formula:C23 H33 N5 O5
SMILES:O=C(N1CCOCC1)NC(C(=O)NC(C(O)c2nc(on2)c3ccccc3)CC)CC(C)C
InChi:InChI=1S/C23H33N5O5/c1-4-17(19(29)20-26-22(33-27-20)16-8-6-5-7-9-16)24-21(30)18(14-15(2)3)25-23(31)28-10-12-32-13-11-28/h5-9,15,17-19,29H,4,10-14H2,1-3H3,(H,24,30)(H,25,31)/t17-,18-,19+/m0/s1
Definition date:2013-12-06
Last modified:2014-09-05
Release date:2014-02-26
Identifier:N-[(1R,2S)-1-hydroxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]-N~2~-(morpholin-4-ylcarbonyl)-L-leucinamide
3A6
3A6
Name:3-AMINO-6-FLUORO-2-[4-(2-METHYLPYRIDIN-4-YL)PHENYL]-N-(METHYLSULFONYL)QUINOLINE-4-CARBOXAMIDE
Formula:C23 H19 F N4 O3 S
SMILES:O=S(=O)(NC(=O)c1c(N)c(nc2c1cc(F)cc2)c3ccc(cc3)c4ccnc(c4)C)C
InChi:InChI=1S/C23H19FN4O3S/c1-13-11-16(9-10-26-13)14-3-5-15(6-4-14)22-21(25)20(23(29)28-32(2,30)31)18-12-17(24)7-8-19(18)27-22/h3-12H,25H2,1-2H3,(H,28,29)
Definition date:2012-02-16
Last modified:2014-09-05
Release date:2013-03-06
Identifier:3-amino-6-fluoro-2-[4-(2-methylpyridin-4-yl)phenyl]-N-(methylsulfonyl)quinoline-4-carboxamide
3EO
3EO
Name:(4R,6S,7Z,15S,17S)-17-[({7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)methyl]-13-methyl-N-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.0~4,6~]heptadec-7-ene-4-carboxamide
Formula:C37 H46 N6 O7 S2
SMILES:O=S(=O)(NC(=O)C12NC(=O)N3C(C(=O)N(C)CCCCC=CC2C1)CC3COc5cc(nc4cc(OC)ccc45)c6nc(cs6)C(C)C)C7(C)CC7
InChi:InChI=1S/C37H46N6O7S2/c1-22(2)29-21-51-32(39-29)28-18-31(26-12-11-25(49-5)17-27(26)38-28)50-20-24-16-30-33(44)42(4)15-9-7-6-8-10-23-19-37(23,40-35(46)43(24)30)34(45)41-52(47,48)36(3)13-14-36/h8,10-12,17-18,21-24,30H,6-7,9,13-16,19-20H2,1-5H3,(H,40,46)(H,41,45)/b10-8-/t23-,24+,30+,37-/m1/s1
Definition date:2014-08-01
Last modified:2014-09-05
Release date:2014-09-10
Identifier:(4R,6S,7Z,15S,17S)-17-[({7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)methyl]-13-methyl-N-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.0~4,6~]heptadec-7-ene-4-carboxamide
3F4
3F4
Name:2-(4-hydroxyphenyl)-3H-quinazolin-4-one
Formula:C14 H10 N2 O2
SMILES:O=C2c3ccccc3N=C(c1ccc(O)cc1)N2
InChi:InChI=1S/C14H10N2O2/c17-10-7-5-9(6-8-10)13-15-12-4-2-1-3-11(12)14(18)16-13/h1-8,17H,(H,15,16,18)
Definition date:2013-06-20
Last modified:2014-09-05
Release date:2013-10-30
Identifier:2-(4-hydroxyphenyl)quinazolin-4(3H)-one
3JF
3JF
Name:N-acetyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide
Formula:C24 H32 N4 O4 S
SMILES:O=C(NC(C(=O)N1CC(O)CC1C(=O)NCc3ccc(c2scnc2C)cc3)C(C)(C)C)C
InChi:InChI=1S/C24H32N4O4S/c1-14-20(33-13-26-14)17-8-6-16(7-9-17)11-25-22(31)19-10-18(30)12-28(19)23(32)21(24(3,4)5)27-15(2)29/h6-9,13,18-19,21,30H,10-12H2,1-5H3,(H,25,31)(H,27,29)/t18-,19+,21-/m1/s1
Definition date:2014-08-27
Last modified:2014-09-05
Release date:2014-09-10
Identifier:N-acetyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide
3JG
3JG
Name:(4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(1,3-oxazol-5-yl)benzyl]-L-prolinamide
Formula:C21 H27 N3 O4
SMILES:O=C(N1CC(O)CC1C(=O)NCc3ccc(c2ocnc2)cc3)CC(C)(C)C
InChi:InChI=1S/C21H27N3O4/c1-21(2,3)9-19(26)24-12-16(25)8-17(24)20(27)23-10-14-4-6-15(7-5-14)18-11-22-13-28-18/h4-7,11,13,16-17,25H,8-10,12H2,1-3H3,(H,23,27)/t16-,17+/m1/s1
Definition date:2014-08-27
Last modified:2014-09-05
Release date:2014-09-10
Identifier:(4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(1,3-oxazol-5-yl)benzyl]-L-prolinamide
3JH
3JH
Name:N-acetyl-L-leucyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide
Formula:C30 H43 N5 O5 S
SMILES:O=C(NC(C(=O)NC(C(=O)N1CC(O)CC1C(=O)NCc3ccc(c2scnc2C)cc3)C(C)(C)C)CC(C)C)C
InChi:InChI=1S/C30H43N5O5S/c1-17(2)12-23(33-19(4)36)27(38)34-26(30(5,6)7)29(40)35-15-22(37)13-24(35)28(39)31-14-20-8-10-21(11-9-20)25-18(3)32-16-41-25/h8-11,16-17,22-24,26,37H,12-15H2,1-7H3,(H,31,39)(H,33,36)(H,34,38)/t22-,23+,24+,26-/m1/s1
Definition date:2014-08-27
Last modified:2014-09-05
Release date:2014-09-10
Identifier:N-acetyl-L-leucyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide
3JJ
3JJ
Name:N-acetyl-3-methyl-L-valyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide
Formula:C30 H43 N5 O5 S
SMILES:O=C(NC(C(=O)NC(C(=O)N1CC(O)CC1C(=O)NCc3ccc(c2scnc2C)cc3)C(C)(C)C)C(C)(C)C)C
InChi:InChI=1S/C30H43N5O5S/c1-17-23(41-16-32-17)20-11-9-19(10-12-20)14-31-26(38)22-13-21(37)15-35(22)28(40)25(30(6,7)8)34-27(39)24(29(3,4)5)33-18(2)36/h9-12,16,21-22,24-25,37H,13-15H2,1-8H3,(H,31,38)(H,33,36)(H,34,39)/t21-,22+,24-,25-/m1/s1
Definition date:2014-08-27
Last modified:2014-09-05
Release date:2014-09-10
Identifier:N-acetyl-3-methyl-L-valyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide
3JK
3JK
Name:(4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(4-methyl-1,3-oxazol-5-yl)benzyl]-L-prolinamide
Formula:C22 H29 N3 O4
SMILES:O=C(N1CC(O)CC1C(=O)NCc3ccc(c2ocnc2C)cc3)CC(C)(C)C
InChi:InChI=1S/C22H29N3O4/c1-14-20(29-13-24-14)16-7-5-15(6-8-16)11-23-21(28)18-9-17(26)12-25(18)19(27)10-22(2,3)4/h5-8,13,17-18,26H,9-12H2,1-4H3,(H,23,28)/t17-,18+/m1/s1
Definition date:2014-08-27
Last modified:2014-09-05
Release date:2014-09-10
Identifier:(4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(4-methyl-1,3-oxazol-5-yl)benzyl]-L-prolinamide
3JO
3JO
Name:N-acetyl-L-phenylalanyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide
Formula:C33 H41 N5 O5 S
SMILES:O=C(NC(C(=O)NC(C(=O)N1CC(O)CC1C(=O)NCc3ccc(c2scnc2C)cc3)C(C)(C)C)Cc4ccccc4)C
InChi:InChI=1S/C33H41N5O5S/c1-20-28(44-19-35-20)24-13-11-23(12-14-24)17-34-31(42)27-16-25(40)18-38(27)32(43)29(33(3,4)5)37-30(41)26(36-21(2)39)15-22-9-7-6-8-10-22/h6-14,19,25-27,29,40H,15-18H2,1-5H3,(H,34,42)(H,36,39)(H,37,41)/t25-,26+,27+,29-/m1/s1
Definition date:2014-08-28
Last modified:2014-09-05
Release date:2014-09-10
Identifier:N-acetyl-L-phenylalanyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide
3JS
3JS
Name:(4R)-1-acetyl-4-hydroxy-L-prolyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide
Formula:C23 H28 N4 O5 S
SMILES:O=C(N1CC(O)CC1C(=O)N2CC(O)CC2C(=O)NCc4ccc(c3scnc3C)cc4)C
InChi:InChI=1S/C23H28N4O5S/c1-13-21(33-12-25-13)16-5-3-15(4-6-16)9-24-22(31)19-7-17(29)11-27(19)23(32)20-8-18(30)10-26(20)14(2)28/h3-6,12,17-20,29-30H,7-11H2,1-2H3,(H,24,31)/t17-,18-,19+,20+/m1/s1
Definition date:2014-08-28
Last modified:2014-09-05
Release date:2014-09-10
Identifier:(4R)-1-acetyl-4-hydroxy-L-prolyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide
3JT
3JT
Name:(4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(1,3-thiazol-5-yl)benzyl]-L-prolinamide
Formula:C21 H27 N3 O3 S
SMILES:O=C(N1CC(O)CC1C(=O)NCc3ccc(c2scnc2)cc3)CC(C)(C)C
InChi:InChI=1S/C21H27N3O3S/c1-21(2,3)9-19(26)24-12-16(25)8-17(24)20(27)23-10-14-4-6-15(7-5-14)18-11-22-13-28-18/h4-7,11,13,16-17,25H,8-10,12H2,1-3H3,(H,23,27)/t16-,17+/m1/s1
Definition date:2014-08-28
Last modified:2014-09-05
Release date:2014-09-10
Identifier:(4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(1,3-thiazol-5-yl)benzyl]-L-prolinamide
3JU
3JU
Name:(4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide
Formula:C22 H29 N3 O3 S
SMILES:O=C(N1CC(O)CC1C(=O)NCc3ccc(c2scnc2C)cc3)CC(C)(C)C
InChi:InChI=1S/C22H29N3O3S/c1-14-20(29-13-24-14)16-7-5-15(6-8-16)11-23-21(28)18-9-17(26)12-25(18)19(27)10-22(2,3)4/h5-8,13,17-18,26H,9-12H2,1-4H3,(H,23,28)/t17-,18+/m1/s1
Definition date:2014-08-28
Last modified:2014-09-05
Release date:2014-09-10
Identifier:(4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide
3JV
3JV
Name:(4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[3-methyl-4-(1,3-thiazol-5-yl)benzyl]-L-prolinamide
Formula:C22 H29 N3 O3 S
SMILES:O=C(N1CC(O)CC1C(=O)NCc3cc(c(c2scnc2)cc3)C)CC(C)(C)C
InChi:InChI=1S/C22H29N3O3S/c1-14-7-15(5-6-17(14)19-11-23-13-29-19)10-24-21(28)18-8-16(26)12-25(18)20(27)9-22(2,3)4/h5-7,11,13,16,18,26H,8-10,12H2,1-4H3,(H,24,28)/t16-,18+/m1/s1
Definition date:2014-08-28
Last modified:2014-09-05
Release date:2014-09-10
Identifier:(4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[3-methyl-4-(1,3-thiazol-5-yl)benzyl]-L-prolinamide
NKH
NKH
Name:N-(4-CHLORO-2,5-DIMETHOXYPHENYL)QUINOLINE-8-CARBOXAMIDE
Formula:C18 H15 Cl N2 O3
SMILES:Clc1c(OC)cc(c(OC)c1)NC(=O)c2cccc3cccnc23
InChi:InChI=1S/C18H15ClN2O3/c1-23-15-10-14(16(24-2)9-13(15)19)21-18(22)12-7-3-5-11-6-4-8-20-17(11)12/h3-10H,1-2H3,(H,21,22)
Definition date:2013-05-18
Last modified:2014-09-05
Release date:2013-09-18
Identifier:N-(4-chloro-2,5-dimethoxyphenyl)quinoline-8-carboxamide
6XE
6XE
Name:6-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline
Formula:C20 H13 F N6
SMILES:Fc5ccc(c1nn2c(nnc2nc1)Cc4cc3cccnc3cc4)cc5
InChi:InChI=1S/C20H13FN6/c21-16-6-4-14(5-7-16)18-12-23-20-25-24-19(27(20)26-18)11-13-3-8-17-15(10-13)2-1-9-22-17/h1-10,12H,11H2
Definition date:2012-11-13
Last modified:2014-09-05
Release date:2013-11-27
Identifier:6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl}quinoline
6YT
6YT
Name:N-(3-hydroxypicolinoyl)-S-(pyridin-2-ylmethyl)-L-cysteine
Formula:C15 H15 N3 O4 S
SMILES:O=C(c1ncccc1O)NC(C(=O)O)CSCc2ncccc2
InChi:InChI=1S/C15H15N3O4S/c19-12-5-3-7-17-13(12)14(20)18-11(15(21)22)9-23-8-10-4-1-2-6-16-10/h1-7,11,19H,8-9H2,(H,18,20)(H,21,22)/t11-/m0/s1
Definition date:2013-10-01
Last modified:2014-09-05
Release date:2014-05-14
Identifier:N-[(3-hydroxypyridin-2-yl)carbonyl]-S-(pyridin-2-ylmethyl)-L-cysteine
NQB
NQB
Name:N-CYCLOPROPYL-4-METHYL-3-[6-(4-METHYLPIPERAZIN-1-YL)-4-OXIDANYLIDENE-QUINAZOLIN-3-YL]BENZAMIDE
Formula:C24 H27 N5 O2
SMILES:O=C(NC1CC1)c2cc(c(cc2)C)N3C(=O)c4cc(ccc4N=C3)N5CCN(C)CC5
InChi:InChI=1S/C24H27N5O2/c1-16-3-4-17(23(30)26-18-5-6-18)13-22(16)29-15-25-21-8-7-19(14-20(21)24(29)31)28-11-9-27(2)10-12-28/h3-4,7-8,13-15,18H,5-6,9-12H2,1-2H3,(H,26,30)
Definition date:2011-11-30
Last modified:2014-09-05
Identifier:N-cyclopropyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3(4H)-yl]benzamide
73B
73B
Name:4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid
Formula:C25 H23 Cl N2 O3
SMILES:O=C(O)c4ccc(c1ccc3c(c1)C(Nc2ccc(Cl)cc2)CC(N3C(=O)C)C)cc4
InChi:InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1
Definition date:2013-04-22
Last modified:2014-09-05
Release date:2013-10-02
Identifier:4-{(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl}benzoic acid

222415

건을2024-07-10부터공개중

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