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PDB Info pages Status search Chemie search: 44145 results BIRD

QVU

QVU
Name:	(4R)-6,7-dichloro-N-(2,7-naphthyridin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
Formula:	C18 H14 Cl2 N4 O
SMILES:	Clc1cc2c(cc1Cl)NCCC2C(=O)Nc1cncc2cnccc21
InChi:	InChI=1S/C18H14Cl2N4O/c19-14-5-13-12(2-4-23-16(13)6-15(14)20)18(25)24-17-9-22-8-10-7-21-3-1-11(10)17/h1,3,5-9,12,23H,2,4H2,(H,24,25)/t12-/m1/s1
Definition date:	2023-08-21
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4R)-6,7-dichloro-N-(2,7-naphthyridin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide

VR5

VR5
Name:	(4P)-2-amino-4-{4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-7-yl}-7-fluoro-1-benzothiophene-3-carbonitrile
Formula:	C32 H29 F6 N7 O S
SMILES:	FC(F)(F)c1cc2c(nc(OCC34CCCN4CC(F)C3)nc2c(F)c1c1ccc(F)c2sc(N)c(C#N)c12)N1CC2CCC(N2)C1
InChi:	InChI=1S/C32H29F6N7OS/c33-15-9-31(6-1-7-45(31)11-15)14-46-30-42-26-19(29(43-30)44-12-16-2-3-17(13-44)41-16)8-21(32(36,37)38)24(25(26)35)18-4-5-22(34)27-23(18)20(10-39)28(40)47-27/h4-5,8,15-17,41H,1-3,6-7,9,11-14,40H2/t15-,16-,17+,31+/m1/s1
Definition date:	2023-09-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4P)-2-amino-4-{4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-7-yl}-7-fluoro-1-benzothiophene-3-carbonitrile

VR9

VR9
Name:	N-[2-(5-chloro-2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide
Formula:	C21 H20 Cl N3 O3
SMILES:	CCC(=O)N(C)CCOc1cc(Cl)ccc1Oc1cccn2cc(cc12)C#N
InChi:	InChI=1S/C21H20ClN3O3/c1-3-21(26)24(2)9-10-27-20-12-16(22)6-7-19(20)28-18-5-4-8-25-14-15(13-23)11-17(18)25/h4-8,11-12,14H,3,9-10H2,1-2H3
Definition date:	2023-09-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-[2-(5-chloro-2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide

QW1

QW1
Name:	(4S)-6-chloro-N~4~-(isoquinolin-4-yl)-3,4-dihydroisoquinoline-2,4(1H)-dicarboxamide
Formula:	C20 H17 Cl N4 O2
SMILES:	NC(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C20H17ClN4O2/c21-14-6-5-13-10-25(20(22)27)11-17(16(13)7-14)19(26)24-18-9-23-8-12-3-1-2-4-15(12)18/h1-9,17H,10-11H2,(H2,22,27)(H,24,26)/t17-/m1/s1
Definition date:	2023-08-21
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4S)-6-chloro-N~4~-(isoquinolin-4-yl)-3,4-dihydroisoquinoline-2,4(1H)-dicarboxamide

VRF

VRF
Name:	N-(2-{2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}ethyl)-N-methylprop-2-enamide
Formula:	C23 H20 N2 O3
SMILES:	C=CC(=O)N(C)CCOc1ccccc1Oc1cccc2cc(C#N)ccc21
InChi:	InChI=1S/C23H20N2O3/c1-3-23(26)25(2)13-14-27-21-8-4-5-9-22(21)28-20-10-6-7-18-15-17(16-24)11-12-19(18)20/h3-12,15H,1,13-14H2,2H3
Definition date:	2023-09-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-(2-{2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}ethyl)-N-methylprop-2-enamide

LKX

LKX
Name:	2-(3-chlorophenyl)-N-(5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)acetamide
Formula:	C10 H9 Cl N4 O2
SMILES:	O=C1NN=CN1NC(=O)Cc1cccc(Cl)c1
InChi:	InChI=1S/C10H9ClN4O2/c11-8-3-1-2-7(4-8)5-9(16)14-15-6-12-13-10(15)17/h1-4,6H,5H2,(H,13,17)(H,14,16)
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-chlorophenyl)-N-(5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)acetamide

N7L

N7L
Name:	(1R,2R)-2-(fluoromethyl)-N-(4-methylpyridin-3-yl)cyclopropane-1-carboxamide
Formula:	C11 H13 F N2 O
SMILES:	O=C(Nc1cnccc1C)C1CC1CF
InChi:	InChI=1S/C11H13FN2O/c1-7-2-3-13-6-10(7)14-11(15)9-4-8(9)5-12/h2-3,6,8-9H,4-5H2,1H3,(H,14,15)/t8-,9+/m0/s1
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(1R,2R)-2-(fluoromethyl)-N-(4-methylpyridin-3-yl)cyclopropane-1-carboxamide

OV4

OV4
Name:	2-(1H-benzotriazol-1-yl)-N-benzyl-N-[4-(dimethylamino)phenyl]acetamide
Formula:	C23 H23 N5 O
SMILES:	CN(C)c1ccc(cc1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21
InChi:	InChI=1S/C23H23N5O/c1-26(2)19-12-14-20(15-13-19)27(16-18-8-4-3-5-9-18)23(29)17-28-22-11-7-6-10-21(22)24-25-28/h3-15H,16-17H2,1-2H3
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(1H-benzotriazol-1-yl)-N-benzyl-N-[4-(dimethylamino)phenyl]acetamide

S39

S39
Name:	(4S)-2-{2-[(1,3-benzothiazol-5-yl)amino]-2-oxoethyl}-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:	C28 H22 Cl N5 O2 S
SMILES:	Clc1ccc2CN(CC(C(=O)Nc3cncc4ccccc43)c2c1)CC(=O)Nc1cc2ncsc2cc1
InChi:	InChI=1S/C28H22ClN5O2S/c29-19-6-5-18-13-34(15-27(35)32-20-7-8-26-24(10-20)31-16-37-26)14-23(22(18)9-19)28(36)33-25-12-30-11-17-3-1-2-4-21(17)25/h1-12,16,23H,13-15H2,(H,32,35)(H,33,36)/t23-/m1/s1
Definition date:	2023-08-22
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4S)-2-{2-[(1,3-benzothiazol-5-yl)amino]-2-oxoethyl}-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

ROZ

ROZ
Name:	4-[2-(3-chlorophenyl)acetamido]isoquinoline-6-carboxamide
Formula:	C18 H14 Cl N3 O2
SMILES:	Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)C(N)=O
InChi:	InChI=1S/C18H14ClN3O2/c19-14-3-1-2-11(6-14)7-17(23)22-16-10-21-9-13-5-4-12(18(20)24)8-15(13)16/h1-6,8-10H,7H2,(H2,20,24)(H,22,23)
Definition date:	2023-08-22
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	4-[2-(3-chlorophenyl)acetamido]isoquinoline-6-carboxamide

VRQ

VRQ
Name:	N-(2-{5-chloro-2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}ethyl)-N-methylprop-2-enamide
Formula:	C23 H19 Cl N2 O3
SMILES:	Clc1cc(OCCN(C)C(=O)C=C)c(Oc2cccc3cc(C#N)ccc23)cc1
InChi:	InChI=1S/C23H19ClN2O3/c1-3-23(27)26(2)11-12-28-22-14-18(24)8-10-21(22)29-20-6-4-5-17-13-16(15-25)7-9-19(17)20/h3-10,13-14H,1,11-12H2,2H3
Definition date:	2023-09-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-(2-{5-chloro-2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}ethyl)-N-methylprop-2-enamide

OFX

OFX
Name:	2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(1H-pyrazol-5-yl)methyl]acetamide
Formula:	C20 H21 N7 O
SMILES:	O=C(Cn1nnc2ccccc21)N(Cc1ccn[NH]1)c1ccc(cc1)N(C)C
InChi:	InChI=1S/C20H21N7O/c1-25(2)16-7-9-17(10-8-16)26(13-15-11-12-21-22-15)20(28)14-27-19-6-4-3-5-18(19)23-24-27/h3-12H,13-14H2,1-2H3,(H,21,22)
Definition date:	2023-08-17
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(1H-pyrazol-5-yl)methyl]acetamide

QWL

QWL
Name:	(4R)-6,7-dichloro-N-(6-fluoroisoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
Formula:	C19 H14 Cl2 F N3 O
SMILES:	Fc1cc2c(cc1)cncc2NC(=O)C1CCNc2cc(Cl)c(Cl)cc21
InChi:	InChI=1S/C19H14Cl2FN3O/c20-15-6-14-12(3-4-24-17(14)7-16(15)21)19(26)25-18-9-23-8-10-1-2-11(22)5-13(10)18/h1-2,5-9,12,24H,3-4H2,(H,25,26)/t12-/m1/s1
Definition date:	2023-08-21
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4R)-6,7-dichloro-N-(6-fluoroisoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide

OVF

OVF
Name:	2-(1H-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(dimethylamino)phenyl]acetamide
Formula:	C23 H22 Cl N5 O
SMILES:	CN(C)c1ccc(cc1)N(Cc1cccc(Cl)c1)C(=O)Cn1nnc2ccccc21
InChi:	InChI=1S/C23H22ClN5O/c1-27(2)19-10-12-20(13-11-19)28(15-17-6-5-7-18(24)14-17)23(30)16-29-22-9-4-3-8-21(22)25-26-29/h3-14H,15-16H2,1-2H3
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(1H-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(dimethylamino)phenyl]acetamide

YJF

YJF
Name:	(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-(phenylsulfonyl)-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-oxane-3,4,5-triol
Formula:	C20 H27 N3 O11 S2
SMILES:	OC[CH]1O[CH](S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)[S](=O)(=O)c4ccccc4)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C20H27N3O11S2/c24-7-10-14(26)13(23-6-12(21-22-23)36(31,32)9-4-2-1-3-5-9)16(28)19(33-10)35-20-18(30)17(29)15(27)11(8-25)34-20/h1-6,10-11,13-20,24-30H,7-8H2/t10-,11-,13+,14+,15-,16-,17+,18-,19+,20+/m1/s1
Definition date:	2023-06-19
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-(phenylsulfonyl)-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-oxane-3,4,5-triol

QWU

QWU
Name:	(3S)-5-chloro-N-(isoquinolin-4-yl)-3-methyl-2,3-dihydro-1H-indole-3-carboxamide
Formula:	C19 H16 Cl N3 O
SMILES:	Clc1cc2c(cc1)NCC2(C)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C19H16ClN3O/c1-19(11-22-16-7-6-13(20)8-15(16)19)18(24)23-17-10-21-9-12-4-2-3-5-14(12)17/h2-10,22H,11H2,1H3,(H,23,24)/t19-/m1/s1
Definition date:	2023-08-21
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(3S)-5-chloro-N-(isoquinolin-4-yl)-3-methyl-2,3-dihydro-1H-indole-3-carboxamide

YJO

YJO
Name:	(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-[oxidanyl(phenyl)-$l^{3}-sulfanyl]-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-oxane-3,4,5-triol
Formula:	C20 H28 N3 O10 S2
SMILES:	OC[CH]1O[CH](S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)[S+](O)c4ccccc4)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C20H28N3O10S2/c24-7-10-14(26)13(23-6-12(21-22-23)35(31)9-4-2-1-3-5-9)16(28)19(32-10)34-20-18(30)17(29)15(27)11(8-25)33-20/h1-6,10-11,13-20,24-31H,7-8H2/q+1/t10-,11-,13+,14+,15-,16-,17+,18-,19+,20+,35-/m1/s1
Definition date:	2023-06-19
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	[1-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-3,5-bis(oxidanyl)oxan-4-yl]-1,2,3-triazol-4-yl]-oxidanyl-phenyl-sulfanium

OGF

OGF
Name:	2-(1H-benzotriazol-1-yl)-N-[4-(methylcarbamamido)phenyl]-N-[(thiophen-3-yl)methyl]acetamide
Formula:	C21 H20 N6 O2 S
SMILES:	O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(NC(=O)NC)cc1
InChi:	InChI=1S/C21H20N6O2S/c1-22-21(29)23-16-6-8-17(9-7-16)26(12-15-10-11-30-14-15)20(28)13-27-19-5-3-2-4-18(19)24-25-27/h2-11,14H,12-13H2,1H3,(H2,22,23,29)
Definition date:	2023-08-17
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(1H-benzotriazol-1-yl)-N-[4-(methylcarbamamido)phenyl]-N-[(thiophen-3-yl)methyl]acetamide

RPK

RPK
Name:	N-(6-acetamidoisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide
Formula:	C19 H16 Cl N3 O2
SMILES:	Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)NC(C)=O
InChi:	InChI=1S/C19H16ClN3O2/c1-12(24)22-16-6-5-14-10-21-11-18(17(14)9-16)23-19(25)8-13-3-2-4-15(20)7-13/h2-7,9-11H,8H2,1H3,(H,22,24)(H,23,25)
Definition date:	2023-08-22
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-(6-acetamidoisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide

QX3

QX3
Name:	(4R)-6,7-dichloro-N-(4-cyclopropylpyridin-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
Formula:	C18 H17 Cl2 N3 O
SMILES:	Clc1cc2c(cc1Cl)NCCC2C(=O)Nc1cnccc1C1CC1
InChi:	InChI=1S/C18H17Cl2N3O/c19-14-7-13-12(4-6-22-16(13)8-15(14)20)18(24)23-17-9-21-5-3-11(17)10-1-2-10/h3,5,7-10,12,22H,1-2,4,6H2,(H,23,24)/t12-/m1/s1
Definition date:	2023-08-21
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4R)-6,7-dichloro-N-(4-cyclopropylpyridin-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide

OGO

OGO
Name:	4-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]quinolin-2(1H)-one
Formula:	C20 H18 N2 O4
SMILES:	O=C(C1=CC(=O)Nc2ccccc21)N1CC(Oc2ccccc2OC)C1
InChi:	InChI=1S/C20H18N2O4/c1-25-17-8-4-5-9-18(17)26-13-11-22(12-13)20(24)15-10-19(23)21-16-7-3-2-6-14(15)16/h2-10,13H,11-12H2,1H3,(H,21,23)
Definition date:	2023-08-17
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	4-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]quinolin-2(1H)-one

OVX

OVX
Name:	1-(3-chlorophenyl)-4-(isoquinoline-4-carbonyl)piperazin-2-one
Formula:	C20 H16 Cl N3 O2
SMILES:	O=C(c1cncc2ccccc21)N1CC(=O)N(CC1)c1cccc(Cl)c1
InChi:	InChI=1S/C20H16ClN3O2/c21-15-5-3-6-16(10-15)24-9-8-23(13-19(24)25)20(26)18-12-22-11-14-4-1-2-7-17(14)18/h1-7,10-12H,8-9,13H2
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	1-(3-chlorophenyl)-4-(isoquinoline-4-carbonyl)piperazin-2-one

QX9

QX9
Name:	2-(3-chlorophenyl)-N-(6-methylisoquinolin-4-yl)acetamide
Formula:	C18 H15 Cl N2 O
SMILES:	Clc1cccc(c1)CC(=O)Nc1cncc2ccc(C)cc21
InChi:	InChI=1S/C18H15ClN2O/c1-12-5-6-14-10-20-11-17(16(14)7-12)21-18(22)9-13-3-2-4-15(19)8-13/h2-8,10-11H,9H2,1H3,(H,21,22)
Definition date:	2023-08-21
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-chlorophenyl)-N-(6-methylisoquinolin-4-yl)acetamide

OGV

OGV
Name:	2-(3-chlorophenyl)-N-[(4S)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide
Formula:	C14 H11 Cl N4 O
SMILES:	Clc1cccc(c1)CC(=O)Nc1nnc2ccccn21
InChi:	InChI=1S/C14H11ClN4O/c15-11-5-3-4-10(8-11)9-13(20)16-14-18-17-12-6-1-2-7-19(12)14/h1-8H,9H2,(H,16,18,20)
Definition date:	2023-08-17
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-chlorophenyl)-N-[(4S)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide

RPZ

RPZ
Name:	2-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide
Formula:	C24 H23 Cl N4 O2
SMILES:	CNC(=O)CN1Cc2ccc(Cl)cc2C2(CCN(C2=O)c2cncc3ccccc32)C1
InChi:	InChI=1S/C24H23ClN4O2/c1-26-22(30)14-28-13-17-6-7-18(25)10-20(17)24(15-28)8-9-29(23(24)31)21-12-27-11-16-4-2-3-5-19(16)21/h2-7,10-12H,8-9,13-15H2,1H3,(H,26,30)/t24-/m1/s1
Definition date:	2023-08-22
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide

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