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N3W
N3W
Name:2-chloranyl-3-(4~{H}-1,2,4-triazol-3-yl)aniline
Formula:C8 H7 Cl N4
SMILES:Nc1cccc(c1Cl)c2[nH]cnn2
InChi:InChI=1S/C8H7ClN4/c9-7-5(2-1-3-6(7)10)8-11-4-12-13-8/h1-4H,10H2,(H,11,12,13)
Definition date:2019-11-11
Last modified:2020-04-24
Release date:2020-04-29
Identifier:2-chloranyl-3-(4~{H}-1,2,4-triazol-3-yl)aniline
OT4
OT4
Name:7-[3-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine
Formula:C18 H19 N3
SMILES:NCCc1cccc(c1)c2cc3c(cc2)c(cc(N)n3)C
InChi:InChI=1S/C18H19N3/c1-12-9-18(20)21-17-11-15(5-6-16(12)17)14-4-2-3-13(10-14)7-8-19/h2-6,9-11H,7-8,19H2,1H3,(H2,20,21)
Definition date:2019-07-03
Last modified:2020-04-24
Release date:2020-04-29
Identifier:7-[3-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine
OU1
OU1
Name:7-[3-(aminomethyl)-4-(cyclopropylmethoxy)phenyl]-4-methylquinolin-2-amine
Formula:C21 H23 N3 O
SMILES:c1(N)nc2c(c(c1)C)ccc(c2)c3cc(c(cc3)OCC4CC4)CN
InChi:InChI=1S/C21H23N3O/c1-13-8-21(23)24-19-10-16(4-6-18(13)19)15-5-7-20(17(9-15)11-22)25-12-14-2-3-14/h4-10,14H,2-3,11-12,22H2,1H3,(H2,23,24)
Definition date:2019-07-03
Last modified:2020-04-24
Release date:2020-04-29
Identifier:7-[3-(aminomethyl)-4-(cyclopropylmethoxy)phenyl]-4-methylquinolin-2-amine
OU4
OU4
Name:7-{3-(aminomethyl)-4-[(1,3-oxazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine
Formula:C21 H20 N4 O2
SMILES:c1(N)nc2c(c(c1)C)ccc(c2)c4ccc(OCc3ncoc3)c(CN)c4
InChi:InChI=1S/C21H20N4O2/c1-13-6-21(23)25-19-8-15(2-4-18(13)19)14-3-5-20(16(7-14)9-22)27-11-17-10-26-12-24-17/h2-8,10,12H,9,11,22H2,1H3,(H2,23,25)
Definition date:2019-07-03
Last modified:2020-04-24
Release date:2020-04-29
Identifier:7-{3-(aminomethyl)-4-[(1,3-oxazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine
OU7
OU7
Name:7-{3-(aminomethyl)-4-[(1,3-thiazol-5-yl)methoxy]phenyl}-4-methylquinolin-2-amine
Formula:C21 H20 N4 O S
SMILES:c21nc(N)cc(c1ccc(c2)c4ccc(OCc3cncs3)c(CN)c4)C
InChi:InChI=1S/C21H20N4OS/c1-13-6-21(23)25-19-8-15(2-4-18(13)19)14-3-5-20(16(7-14)9-22)26-11-17-10-24-12-27-17/h2-8,10,12H,9,11,22H2,1H3,(H2,23,25)
Definition date:2019-07-03
Last modified:2020-04-24
Release date:2020-04-29
Identifier:7-{3-(aminomethyl)-4-[(1,3-thiazol-5-yl)methoxy]phenyl}-4-methylquinolin-2-amine
OUA
OUA
Name:7-[5-(aminomethyl)pyridin-3-yl]-4-methylquinolin-2-amine
Formula:C16 H16 N4
SMILES:Cc3c2ccc(c1cc(CN)cnc1)cc2nc(c3)N
InChi:InChI=1S/C16H16N4/c1-10-4-16(18)20-15-6-12(2-3-14(10)15)13-5-11(7-17)8-19-9-13/h2-6,8-9H,7,17H2,1H3,(H2,18,20)
Definition date:2019-07-03
Last modified:2020-04-24
Release date:2020-04-29
Identifier:7-[5-(aminomethyl)pyridin-3-yl]-4-methylquinolin-2-amine
OUG
OUG
Name:7-[3-(aminomethyl)phenyl]-4-methylquinolin-2-amine
Formula:C17 H17 N3
SMILES:c31c(c(C)cc(N)n1)ccc(c2cc(ccc2)CN)c3
InChi:InChI=1S/C17H17N3/c1-11-7-17(19)20-16-9-14(5-6-15(11)16)13-4-2-3-12(8-13)10-18/h2-9H,10,18H2,1H3,(H2,19,20)
Definition date:2019-07-03
Last modified:2020-04-24
Release date:2020-04-29
Identifier:7-[3-(aminomethyl)phenyl]-4-methylquinolin-2-amine
OUJ
OUJ
Name:7-{3-(aminomethyl)-4-[(1,3-thiazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine
Formula:C21 H20 N4 O S
SMILES:c1c(cc(CN)c(c1)OCc2cscn2)c4ccc3c(cc(nc3c4)N)C
InChi:InChI=1S/C21H20N4OS/c1-13-6-21(23)25-19-8-15(2-4-18(13)19)14-3-5-20(16(7-14)9-22)26-10-17-11-27-12-24-17/h2-8,11-12H,9-10,22H2,1H3,(H2,23,25)
Definition date:2019-07-05
Last modified:2020-04-24
Release date:2020-04-29
Identifier:7-{3-(aminomethyl)-4-[(1,3-thiazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine
OUM
OUM
Name:4-{[2-(aminomethyl)-4-(2-amino-4-methylquinolin-7-yl)phenoxy]methyl}benzonitrile
Formula:C25 H22 N4 O
SMILES:c21c(c(cc(n1)N)C)ccc(c2)c3ccc(c(CN)c3)OCc4ccc(cc4)C#N
InChi:InChI=1S/C25H22N4O/c1-16-10-25(28)29-23-12-20(6-8-22(16)23)19-7-9-24(21(11-19)14-27)30-15-18-4-2-17(13-26)3-5-18/h2-12H,14-15,27H2,1H3,(H2,28,29)
Definition date:2019-07-05
Last modified:2020-04-24
Release date:2020-04-29
Identifier:4-{[2-(aminomethyl)-4-(2-amino-4-methylquinolin-7-yl)phenoxy]methyl}benzonitrile
OUP
OUP
Name:7-[3-(aminomethyl)-4-(cyclobutylmethoxy)phenyl]-4-methylquinolin-2-amine
Formula:C22 H25 N3 O
SMILES:c2(cc(C)c1ccc(cc1n2)c3cc(c(cc3)OCC4CCC4)CN)N
InChi:InChI=1S/C22H25N3O/c1-14-9-22(24)25-20-11-17(5-7-19(14)20)16-6-8-21(18(10-16)12-23)26-13-15-3-2-4-15/h5-11,15H,2-4,12-13,23H2,1H3,(H2,24,25)
Definition date:2019-07-05
Last modified:2020-04-24
Release date:2020-04-29
Identifier:7-[3-(aminomethyl)-4-(cyclobutylmethoxy)phenyl]-4-methylquinolin-2-amine
OUS
OUS
Name:7-{3-(aminomethyl)-4-[(pyridin-3-yl)methoxy]phenyl}-4-methylquinolin-2-amine
Formula:C23 H22 N4 O
SMILES:c2(cc(C)c1ccc(cc1n2)c3cc(c(cc3)OCc4cnccc4)CN)N
InChi:InChI=1S/C23H22N4O/c1-15-9-23(25)27-21-11-18(4-6-20(15)21)17-5-7-22(19(10-17)12-24)28-14-16-3-2-8-26-13-16/h2-11,13H,12,14,24H2,1H3,(H2,25,27)
Definition date:2019-07-05
Last modified:2020-04-24
Release date:2020-04-29
Identifier:7-{3-(aminomethyl)-4-[(pyridin-3-yl)methoxy]phenyl}-4-methylquinolin-2-amine
LUS
LUS
Name:4-(4-ethylcyclohexyl)morpholine
Formula:C12 H23 N O
SMILES:CC[CH]1CC[CH](CC1)N2CCOCC2
InChi:InChI=1S/C12H23NO/c1-2-11-3-5-12(6-4-11)13-7-9-14-10-8-13/h11-12H,2-10H2,1H3/t11-,12-
Definition date:2019-03-15
Last modified:2020-04-24
Release date:2020-04-29
Identifier:4-(4-ethylcyclohexyl)morpholine
LWD
LWD
Name:~{N}-quinolin-6-ylbenzamide
Formula:C16 H12 N2 O
SMILES:O=C(Nc1ccc2ncccc2c1)c3ccccc3
InChi:InChI=1S/C16H12N2O/c19-16(12-5-2-1-3-6-12)18-14-8-9-15-13(11-14)7-4-10-17-15/h1-11H,(H,18,19)
Definition date:2019-03-15
Last modified:2020-04-24
Release date:2020-04-29
Identifier:~{N}-quinolin-6-ylbenzamide
M16
M16
Name:7-[4-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine
Formula:C18 H19 N3
SMILES:NCCc1ccc(cc1)c2ccc3c(C)cc(N)nc3c2
InChi:InChI=1S/C18H19N3/c1-12-10-18(20)21-17-11-15(6-7-16(12)17)14-4-2-13(3-5-14)8-9-19/h2-7,10-11H,8-9,19H2,1H3,(H2,20,21)
Definition date:2019-07-03
Last modified:2020-04-24
Release date:2020-04-29
Identifier:7-[4-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine
NQW
NQW
Name:5-[[5-chloranyl-2-[(2~{S},6~{R})-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one
Formula:C23 H31 Cl N6 O3
SMILES:C[CH]1CN(C[CH](C)O1)c2ncc(Cl)c(Nc3ccc4N(C)C(=O)N(CCC(C)(C)O)c4c3)n2
InChi:InChI=1S/C23H31ClN6O3/c1-14-12-29(13-15(2)33-14)21-25-11-17(24)20(27-21)26-16-6-7-18-19(10-16)30(22(31)28(18)5)9-8-23(3,4)32/h6-7,10-11,14-15,32H,8-9,12-13H2,1-5H3,(H,25,26,27)/t14-,15+
Definition date:2019-12-11
Last modified:2020-04-17
Release date:2020-04-22
Identifier:5-[[5-chloranyl-2-[(2~{S},6~{R})-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one
NR5
NR5
Name:5-[[5-chloranyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one
Formula:C25 H35 Cl N6 O3
SMILES:CN1C(=O)N(CCC(C)(C)O)c2cc(Nc3nc(ncc3Cl)N4CC(C)(C)OC(C)(C)C4)ccc12
InChi:InChI=1S/C25H35ClN6O3/c1-23(2,34)10-11-32-19-12-16(8-9-18(19)30(7)22(32)33)28-20-17(26)13-27-21(29-20)31-14-24(3,4)35-25(5,6)15-31/h8-9,12-13,34H,10-11,14-15H2,1-7H3,(H,27,28,29)
Definition date:2019-12-11
Last modified:2020-04-17
Release date:2020-04-22
Identifier:5-[[5-chloranyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one
S7G
S7G
Name:~{N}-[(3~{R})-1,2,3,4-tetrahydroquinolin-3-yl]ethanamide
Formula:C11 H14 N2 O
SMILES:CC(=O)N[CH]1CNc2ccccc2C1
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-/m1/s1
Definition date:2020-03-05
Last modified:2020-04-17
Release date:2020-04-22
Identifier:~{N}-[(3~{R})-1,2,3,4-tetrahydroquinolin-3-yl]ethanamide
S8D
S8D
Name:2-[(2~{R},5~{S})-2,5-dimethylmorpholin-4-yl]-~{N}-ethyl-ethanamide
Formula:C10 H20 N2 O2
SMILES:CCNC(=O)CN1C[CH](C)OC[CH]1C
InChi:InChI=1S/C10H20N2O2/c1-4-11-10(13)6-12-5-9(3)14-7-8(12)2/h8-9H,4-7H2,1-3H3,(H,11,13)/t8-,9+/m0/s1
Definition date:2020-03-05
Last modified:2020-04-17
Release date:2020-04-22
Identifier:2-[(2~{R},5~{S})-2,5-dimethylmorpholin-4-yl]-~{N}-ethyl-ethanamide
D8D
D8D
Name:1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-L-proline
Formula:C14 H24 N2 O3
SMILES:C1C(CCCC1)C(N2C(CCC2)C(O)=O)C(=O)NC
InChi:InChI=1S/C14H24N2O3/c1-15-13(17)12(10-6-3-2-4-7-10)16-9-5-8-11(16)14(18)19/h10-12H,2-9H2,1H3,(H,15,17)(H,18,19)/t11-,12+/m0/s1
Definition date:2017-10-23
Last modified:2020-04-17
Release date:2020-04-22
Identifier:1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-L-proline
D97
D97
Name:(1S,2S,3S,4R,5R)-4-(morpholin-4-yl)-2-[(quinolin-3-ylmethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol
Formula:C20 H25 N3 O4
SMILES:O5CCN(C3C4OCC(C(NCc1cc2c(nc1)cccc2)C3O)O4)CC5
InChi:InChI=1S/C20H25N3O4/c24-19-17(22-11-13-9-14-3-1-2-4-15(14)21-10-13)16-12-26-20(27-16)18(19)23-5-7-25-8-6-23/h1-4,9-10,16-20,22,24H,5-8,11-12H2/t16-,17-,18-,19+,20-/m1/s1
Definition date:2017-10-23
Last modified:2020-04-17
Release date:2020-04-22
Identifier:(1S,2S,3S,4R,5R)-4-(morpholin-4-yl)-2-[(quinolin-3-ylmethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol (non-preferred name)
D9D
D9D
Name:(1S,2S,3S,4R,5R)-2-({[5-(hydroxymethyl)furan-2-yl]methyl}amino)-4-(morpholin-4-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol
Formula:C16 H24 N2 O6
SMILES:OC2C(C3COC(C2N1CCOCC1)O3)NCc4oc(CO)cc4
InChi:InChI=1S/C16H24N2O6/c19-8-11-2-1-10(23-11)7-17-13-12-9-22-16(24-12)14(15(13)20)18-3-5-21-6-4-18/h1-2,12-17,19-20H,3-9H2/t12-,13-,14-,15+,16-/m1/s1
Definition date:2017-10-23
Last modified:2020-04-17
Release date:2020-04-22
Identifier:(1S,2S,3S,4R,5R)-2-({[5-(hydroxymethyl)furan-2-yl]methyl}amino)-4-(morpholin-4-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol (non-preferred name)
D9M
D9M
Name:(1S,2S,3S,4R,5R)-4-(morpholin-4-yl)-2-[(pyridin-4-ylmethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol
Formula:C16 H23 N3 O4
SMILES:O1CCN(CC1)C3C4OCC(C(NCc2ccncc2)C3O)O4
InChi:InChI=1S/C16H23N3O4/c20-15-13(18-9-11-1-3-17-4-2-11)12-10-22-16(23-12)14(15)19-5-7-21-8-6-19/h1-4,12-16,18,20H,5-10H2/t12-,13-,14-,15+,16-/m1/s1
Definition date:2017-10-23
Last modified:2020-04-17
Release date:2020-04-22
Identifier:(1S,2S,3S,4R,5R)-4-(morpholin-4-yl)-2-[(pyridin-4-ylmethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol (non-preferred name)
OS8
OS8
Name:(4~{R})-~{N}-[3-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)propyl]-4-methyl-2-oxidanylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide
Formula:C24 H30 N4 O3
SMILES:COc1ccc2CCCN(CCCNC(=O)c3cccc4NC(=O)C[CH](C)Nc34)c2c1
InChi:InChI=1S/C24H30N4O3/c1-16-14-22(29)27-20-8-3-7-19(23(20)26-16)24(30)25-11-5-13-28-12-4-6-17-9-10-18(31-2)15-21(17)28/h3,7-10,15-16,26H,4-6,11-14H2,1-2H3,(H,25,30)(H,27,29)/t16-/m1/s1
Definition date:2020-04-01
Last modified:2020-04-10
Release date:2020-04-15
Identifier:(4~{R})-~{N}-[3-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)propyl]-4-methyl-2-oxidanylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide
OSN
OSN
Name:(4~{R})-6-[(~{E})-5-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)pent-1-enyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
Formula:C25 H31 N3 O2
SMILES:COc1ccc2CCCN(CCCC=Cc3cccc4NC(=O)C[CH](C)Nc34)c2c1
InChi:InChI=1S/C25H31N3O2/c1-18-16-24(29)27-22-11-6-9-20(25(22)26-18)8-4-3-5-14-28-15-7-10-19-12-13-21(30-2)17-23(19)28/h4,6,8-9,11-13,17-18,26H,3,5,7,10,14-16H2,1-2H3,(H,27,29)/b8-4+/t18-/m1/s1
Definition date:2020-04-01
Last modified:2020-04-10
Release date:2020-04-15
Identifier:(4~{R})-6-[(~{E})-5-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)pent-1-enyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
OSQ
OSQ
Name:(3~{R})-~{N}-[3-(3,4-dihydro-2~{H}-quinolin-1-yl)-2,2-bis(fluoranyl)propyl]-3-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-quinoxaline-5-carboxamide
Formula:C22 H24 F2 N4 O2
SMILES:C[CH]1Nc2c(NC1=O)cccc2C(=O)NCC(F)(F)CN3CCCc4ccccc34
InChi:InChI=1S/C22H24F2N4O2/c1-14-20(29)27-17-9-4-8-16(19(17)26-14)21(30)25-12-22(23,24)13-28-11-5-7-15-6-2-3-10-18(15)28/h2-4,6,8-10,14,26H,5,7,11-13H2,1H3,(H,25,30)(H,27,29)/t14-/m1/s1
Definition date:2020-04-01
Last modified:2020-04-10
Release date:2020-04-15
Identifier:(3~{R})-~{N}-[3-(3,4-dihydro-2~{H}-quinolin-1-yl)-2,2-bis(fluoranyl)propyl]-3-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-quinoxaline-5-carboxamide

223532

数据于2024-08-07公开中

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