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G92
G92
Name:[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethyloxy)phenyl]methanone
Formula:C23 H22 F3 N3 O4
SMILES:COc1cc2ncnc(C3CCN(CC3)C(=O)c4ccc(OC(F)(F)F)cc4)c2cc1OC
InChi:InChI=1S/C23H22F3N3O4/c1-31-19-11-17-18(12-20(19)32-2)27-13-28-21(17)14-7-9-29(10-8-14)22(30)15-3-5-16(6-4-15)33-23(24,25)26/h3-6,11-14H,7-10H2,1-2H3
Definition date:2018-09-07
Last modified:2019-02-22
Release date:2019-02-27
Identifier:[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethyloxy)phenyl]methanone
G9E
G9E
Name:[2-azanyl-4-(trifluoromethyloxy)phenyl]-[4-(7-methoxyquinazolin-4-yl)piperidin-1-yl]methanone
Formula:C22 H21 F3 N4 O3
SMILES:COc1ccc2c(c1)ncnc2C3CCN(CC3)C(=O)c4ccc(OC(F)(F)F)cc4N
InChi:InChI=1S/C22H21F3N4O3/c1-31-14-2-5-17-19(11-14)27-12-28-20(17)13-6-8-29(9-7-13)21(30)16-4-3-15(10-18(16)26)32-22(23,24)25/h2-5,10-13H,6-9,26H2,1H3
Definition date:2018-09-07
Last modified:2019-02-22
Release date:2019-02-27
Identifier:[2-azanyl-4-(trifluoromethyloxy)phenyl]-[4-(7-methoxyquinazolin-4-yl)piperidin-1-yl]methanone
KUV
KUV
Name:5-amino-N-{5-[(4R,5R)-4-amino-5-fluoroazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
Formula:C20 H22 F3 N7 O S
SMILES:n3(c(c(NC(c2nc(c1c(cccc1F)F)sc2N)=O)cn3)N4CCC(C(F)CC4)N)C
InChi:InChI=1S/C20H22F3N7OS/c1-29-20(30-7-5-10(21)13(24)6-8-30)14(9-26-29)27-18(31)16-17(25)32-19(28-16)15-11(22)3-2-4-12(15)23/h2-4,9-10,13H,5-8,24-25H2,1H3,(H,27,31)/t10-,13-/m1/s1
Definition date:2019-01-16
Last modified:2019-02-22
Release date:2019-02-27
Identifier:5-amino-N-{5-[(4R,5R)-4-amino-5-fluoroazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
GUK
GUK
Name:6-chloranyl-3-(2~{H}-indazol-5-yl)-~{N}-propan-2-yl-imidazo[1,2-b]pyridazin-8-amine
Formula:C16 H15 Cl N6
SMILES:CC(C)Nc1cc(Cl)nn2c(cnc12)c3ccc4n[nH]cc4c3
InChi:InChI=1S/C16H15ClN6/c1-9(2)20-13-6-15(17)22-23-14(8-18-16(13)23)10-3-4-12-11(5-10)7-19-21-12/h3-9,20H,1-2H3,(H,19,21)
Definition date:2018-10-10
Last modified:2019-02-22
Release date:2019-02-27
Identifier:6-chloranyl-3-(2~{H}-indazol-5-yl)-~{N}-propan-2-yl-imidazo[1,2-b]pyridazin-8-amine
GXK
GXK
Name:6-chloranyl-~{N}-(cyclopropylmethyl)-3-(2~{H}-indazol-5-yl)imidazo[1,2-b]pyridazin-8-amine
Formula:C17 H15 Cl N6
SMILES:Clc1cc(NCC2CC2)c3ncc(n3n1)c4ccc5n[nH]cc5c4
InChi:InChI=1S/C17H15ClN6/c18-16-6-14(19-7-10-1-2-10)17-20-9-15(24(17)23-16)11-3-4-13-12(5-11)8-21-22-13/h3-6,8-10,19H,1-2,7H2,(H,21,22)
Definition date:2018-10-16
Last modified:2019-02-22
Release date:2019-02-27
Identifier:6-chloranyl-~{N}-(cyclopropylmethyl)-3-(2~{H}-indazol-5-yl)imidazo[1,2-b]pyridazin-8-amine
GXN
GXN
Name:[2-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]-7-methoxy-3,4-dihydro-1~{H}-isoquinolin-6-yl] sulfamate
Formula:C19 H23 Br N2 O6 S
SMILES:COc1cc2CN(CCc2cc1O[S](N)(=O)=O)Cc3cc(Br)c(OC)c(OC)c3
InChi:InChI=1S/C19H23BrN2O6S/c1-25-16-9-14-11-22(5-4-13(14)8-17(16)28-29(21,23)24)10-12-6-15(20)19(27-3)18(7-12)26-2/h6-9H,4-5,10-11H2,1-3H3,(H2,21,23,24)
Definition date:2018-10-17
Last modified:2019-02-22
Release date:2019-02-27
Identifier:[2-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]-7-methoxy-3,4-dihydro-1~{H}-isoquinolin-6-yl] sulfamate
GZK
GZK
Name:1-[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]-5-[(3,4-dichlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one
Formula:C16 H14 Cl2 N4 O3 S
SMILES:Clc1ccc(CN2C=Nc3n(ncc3C2=O)[CH]4CC[S](=O)(=O)C4)cc1Cl
InChi:InChI=1S/C16H14Cl2N4O3S/c17-13-2-1-10(5-14(13)18)7-21-9-19-15-12(16(21)23)6-20-22(15)11-3-4-26(24,25)8-11/h1-2,5-6,9,11H,3-4,7-8H2/t11-/m1/s1
Definition date:2018-10-27
Last modified:2019-02-22
Release date:2019-02-27
Identifier:1-[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]-5-[(3,4-dichlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one
GZN
GZN
Name:2-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide
Formula:C21 H16 Cl2 N4 O2
SMILES:Cn1cc(NC(=O)C2=CN(Cc3ccc(Cl)c(Cl)c3)C(=O)c4ccccc24)cn1
InChi:InChI=1S/C21H16Cl2N4O2/c1-26-11-14(9-24-26)25-20(28)17-12-27(10-13-6-7-18(22)19(23)8-13)21(29)16-5-3-2-4-15(16)17/h2-9,11-12H,10H2,1H3,(H,25,28)
Definition date:2018-10-27
Last modified:2019-02-22
Release date:2019-02-27
Identifier:2-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide
GZQ
GZQ
Name:~{N}-(2,4-dichlorophenyl)-~{N}-methyl-ethanamide
Formula:C9 H9 Cl2 N O
SMILES:CN(C(C)=O)c1ccc(Cl)cc1Cl
InChi:InChI=1S/C9H9Cl2NO/c1-6(13)12(2)9-4-3-7(10)5-8(9)11/h3-5H,1-2H3
Definition date:2018-10-27
Last modified:2019-02-22
Release date:2019-02-27
Identifier:~{N}-(2,4-dichlorophenyl)-~{N}-methyl-ethanamide
GZT
GZT
Name:1-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]methyl]-~{N}-methyl-2-oxidanylidene-pyridine-3-carboxamide
Formula:C15 H12 F2 N2 O4
SMILES:CNC(=O)C1=CC=CN(Cc2ccc3OC(F)(F)Oc3c2)C1=O
InChi:InChI=1S/C15H12F2N2O4/c1-18-13(20)10-3-2-6-19(14(10)21)8-9-4-5-11-12(7-9)23-15(16,17)22-11/h2-7H,8H2,1H3,(H,18,20)
Definition date:2018-10-27
Last modified:2019-02-22
Release date:2019-02-27
Identifier:1-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]methyl]-~{N}-methyl-2-oxidanylidene-pyridine-3-carboxamide
GZW
GZW
Name:2-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-6-piperidin-4-yl-2,7-naphthyridine-4-carboxamide
Formula:C25 H24 Cl2 N6 O2
SMILES:Cn1cc(NC(=O)C2=CN(Cc3ccc(Cl)c(Cl)c3)C(=O)c4cnc(cc24)C5CCNCC5)cn1
InChi:InChI=1S/C25H24Cl2N6O2/c1-32-13-17(10-30-32)31-24(34)20-14-33(12-15-2-3-21(26)22(27)8-15)25(35)19-11-29-23(9-18(19)20)16-4-6-28-7-5-16/h2-3,8-11,13-14,16,28H,4-7,12H2,1H3,(H,31,34)
Definition date:2018-10-27
Last modified:2019-02-22
Release date:2019-02-27
Identifier:2-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-6-piperidin-4-yl-2,7-naphthyridine-4-carboxamide
H08
H08
Name:2-[(4-chlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide
Formula:C21 H17 Cl N4 O2
SMILES:Cn1cc(NC(=O)C2=CN(Cc3ccc(Cl)cc3)C(=O)c4ccccc24)cn1
InChi:InChI=1S/C21H17ClN4O2/c1-25-12-16(10-23-25)24-20(27)19-13-26(11-14-6-8-15(22)9-7-14)21(28)18-5-3-2-4-17(18)19/h2-10,12-13H,11H2,1H3,(H,24,27)
Definition date:2018-10-27
Last modified:2019-02-22
Release date:2019-02-27
Identifier:2-[(4-chlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide
H0B
H0B
Name:6-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-5-oxidanylidene-1,6-naphthyridine-8-carboxamide
Formula:C20 H15 Cl2 N5 O2
SMILES:Cn1cc(NC(=O)C2=CN(Cc3ccc(Cl)c(Cl)c3)C(=O)c4cccnc24)cn1
InChi:InChI=1S/C20H15Cl2N5O2/c1-26-10-13(8-24-26)25-19(28)15-11-27(9-12-4-5-16(21)17(22)7-12)20(29)14-3-2-6-23-18(14)15/h2-8,10-11H,9H2,1H3,(H,25,28)
Definition date:2018-10-27
Last modified:2019-02-22
Release date:2019-02-27
Identifier:6-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-5-oxidanylidene-1,6-naphthyridine-8-carboxamide
H0H
H0H
Name:~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-2-(phenylmethyl)isoquinoline-4-carboxamide
Formula:C21 H18 N4 O2
SMILES:Cn1cc(NC(=O)C2=CN(Cc3ccccc3)C(=O)c4ccccc24)cn1
InChi:InChI=1S/C21H18N4O2/c1-24-13-16(11-22-24)23-20(26)19-14-25(12-15-7-3-2-4-8-15)21(27)18-10-6-5-9-17(18)19/h2-11,13-14H,12H2,1H3,(H,23,26)
Definition date:2018-10-27
Last modified:2019-02-22
Release date:2019-02-27
Identifier:~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-2-(phenylmethyl)isoquinoline-4-carboxamide
H0N
H0N
Name:5-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-1-piperidin-4-yl-~{N}-pyridin-4-yl-pyrazolo[4,3-c]pyridine-7-carboxamide
Formula:C24 H22 Cl2 N6 O2
SMILES:Clc1ccc(CN2C=C(C(=O)Nc3ccncc3)c4n(ncc4C2=O)C5CCNCC5)cc1Cl
InChi:InChI=1S/C24H22Cl2N6O2/c25-20-2-1-15(11-21(20)26)13-31-14-19(23(33)30-16-3-7-27-8-4-16)22-18(24(31)34)12-29-32(22)17-5-9-28-10-6-17/h1-4,7-8,11-12,14,17,28H,5-6,9-10,13H2,(H,27,30,33)
Definition date:2018-10-27
Last modified:2019-02-22
Release date:2019-02-27
Identifier:5-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-1-piperidin-4-yl-~{N}-pyridin-4-yl-pyrazolo[4,3-c]pyridine-7-carboxamide
H0Q
H0Q
Name:2-[(3-chlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide
Formula:C21 H17 Cl N4 O2
SMILES:Cn1cc(NC(=O)C2=CN(Cc3cccc(Cl)c3)C(=O)c4ccccc24)cn1
InChi:InChI=1S/C21H17ClN4O2/c1-25-12-16(10-23-25)24-20(27)19-13-26(11-14-5-4-6-15(22)9-14)21(28)18-8-3-2-7-17(18)19/h2-10,12-13H,11H2,1H3,(H,24,27)
Definition date:2018-10-27
Last modified:2019-02-22
Release date:2019-02-27
Identifier:2-[(3-chlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide
GE8
GE8
Name:2-(4-chloranylphenoxy)-2-methyl-~{N}-(3-sulfanylpropyl)propanamide
Formula:C13 H18 Cl N O2 S
SMILES:CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCCS
InChi:InChI=1S/C13H18ClNO2S/c1-13(2,12(16)15-8-3-9-18)17-11-6-4-10(14)5-7-11/h4-7,18H,3,8-9H2,1-2H3,(H,15,16)
Definition date:2018-09-13
Last modified:2019-02-22
Release date:2019-02-27
Identifier:2-(4-chloranylphenoxy)-2-methyl-~{N}-(3-sulfanylpropyl)propanamide
GEH
GEH
Name:2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide
Formula:C12 H16 Cl N O2 S
SMILES:CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCS
InChi:InChI=1S/C12H16ClNO2S/c1-12(2,11(15)14-7-8-17)16-10-5-3-9(13)4-6-10/h3-6,17H,7-8H2,1-2H3,(H,14,15)
Definition date:2018-09-13
Last modified:2019-02-22
Release date:2019-02-27
Identifier:2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide
GF8
GF8
Name:2-(3,4-dichlorophenyl)-~{N}-(2-sulfanylethyl)ethanamide
Formula:C10 H11 Cl2 N O S
SMILES:SCCNC(=O)Cc1ccc(Cl)c(Cl)c1
InChi:InChI=1S/C10H11Cl2NOS/c11-8-2-1-7(5-9(8)12)6-10(14)13-3-4-15/h1-2,5,15H,3-4,6H2,(H,13,14)
Definition date:2018-09-14
Last modified:2019-02-22
Release date:2019-02-27
Identifier:2-(3,4-dichlorophenyl)-~{N}-(2-sulfanylethyl)ethanamide
GKZ
GKZ
Name:1-[2-[4-[4-(4-chlorophenyl)-3-methyl-1~{H}-pyrazol-5-yl]-3-oxidanyl-phenoxy]ethyl]piperidin-1-ium-4-carboxamide
Formula:C24 H28 Cl N4 O3
SMILES:Cc1n[nH]c(c2ccc(OCC[NH+]3CCC(CC3)C(N)=O)cc2O)c1c4ccc(Cl)cc4
InChi:InChI=1S/C24H27ClN4O3/c1-15-22(16-2-4-18(25)5-3-16)23(28-27-15)20-7-6-19(14-21(20)30)32-13-12-29-10-8-17(9-11-29)24(26)31/h2-7,14,17,30H,8-13H2,1H3,(H2,26,31)(H,27,28)/p+1
Definition date:2018-09-28
Last modified:2019-02-22
Release date:2019-02-27
Identifier:1-[2-[4-[4-(4-chlorophenyl)-3-methyl-1~{H}-pyrazol-5-yl]-3-oxidanyl-phenoxy]ethyl]piperidin-1-ium-4-carboxamide
GNK
GNK
Name:(1~{S},5~{R})-8-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-one
Formula:C15 H18 Cl N O
SMILES:Clc1ccc(CCN2[CH]3CC[CH]2CC(=O)C3)cc1
InChi:InChI=1S/C15H18ClNO/c16-12-3-1-11(2-4-12)7-8-17-13-5-6-14(17)10-15(18)9-13/h1-4,13-14H,5-10H2/t13-,14+
Definition date:2018-09-28
Last modified:2019-02-22
Release date:2019-02-27
Identifier:(1~{S},5~{R})-8-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-one
GNW
GNW
Name:1-[(3-chlorophenyl)methyl]piperazine
Formula:C11 H15 Cl N2
SMILES:Clc1cccc(CN2CCNCC2)c1
InChi:InChI=1S/C11H15ClN2/c12-11-3-1-2-10(8-11)9-14-6-4-13-5-7-14/h1-3,8,13H,4-7,9H2
Definition date:2018-09-29
Last modified:2019-02-22
Release date:2019-02-27
Identifier:1-[(3-chlorophenyl)methyl]piperazine
GNZ
GNZ
Name:(1~{S},5~{R})-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-one
Formula:C16 H18 F3 N O
SMILES:FC(F)(F)c1ccc(CCN2[CH]3CC[CH]2CC(=O)C3)cc1
InChi:InChI=1S/C16H18F3NO/c17-16(18,19)12-3-1-11(2-4-12)7-8-20-13-5-6-14(20)10-15(21)9-13/h1-4,13-14H,5-10H2/t13-,14+
Definition date:2018-09-29
Last modified:2019-02-22
Release date:2019-02-27
Identifier:(1~{S},5~{R})-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-one
GO2
GO2
Name:1-(1,3-benzothiazol-2-yl)guanidine
Formula:C8 H8 N4 S
SMILES:NC(=N)Nc1sc2ccccc2n1
InChi:InChI=1S/C8H8N4S/c9-7(10)12-8-11-5-3-1-2-4-6(5)13-8/h1-4H,(H4,9,10,11,12)
Definition date:2018-09-29
Last modified:2019-02-22
Release date:2019-02-27
Identifier:1-(1,3-benzothiazol-2-yl)guanidine
GO5
GO5
Name:(1~{R},5~{S})-9-[2-(4-chlorophenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one
Formula:C16 H20 Cl N O
SMILES:Clc1ccc(CCN2[CH]3CCC[CH]2CC(=O)C3)cc1
InChi:InChI=1S/C16H20ClNO/c17-13-6-4-12(5-7-13)8-9-18-14-2-1-3-15(18)11-16(19)10-14/h4-7,14-15H,1-3,8-11H2/t14-,15+
Definition date:2018-09-29
Last modified:2019-02-22
Release date:2019-02-27
Identifier:(1~{R},5~{S})-9-[2-(4-chlorophenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one

224572

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