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O0X
O0X
Name:2-(3-chlorophenyl)-N-(1,7-naphthyridin-5-yl)acetamide
Formula:C16 H12 Cl N3 O
SMILES:Clc1cccc(c1)CC(=O)Nc1cncc2ncccc21
InChi:InChI=1S/C16H12ClN3O/c17-12-4-1-3-11(7-12)8-16(21)20-15-10-18-9-14-13(15)5-2-6-19-14/h1-7,9-10H,8H2,(H,20,21)
Definition date:2023-08-16
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(3-chlorophenyl)-N-(1,7-naphthyridin-5-yl)acetamide
R9R
R9R
Name:(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(3-methyl-1,1-dioxo-1lambda~6~-thietan-3-yl)methanesulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:C24 H24 Cl N3 O5 S2
SMILES:O=S(=O)(CC1(C)CS(=O)(=O)C1)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C24H24ClN3O5S2/c1-24(13-34(30,31)14-24)15-35(32,33)28-11-17-6-7-18(25)8-20(17)21(12-28)23(29)27-22-10-26-9-16-4-2-3-5-19(16)22/h2-10,21H,11-15H2,1H3,(H,27,29)/t21-/m1/s1
Definition date:2023-08-22
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(3-methyl-1,1-dioxo-1lambda~6~-thietan-3-yl)methanesulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
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
QHU
QHU
Name:(4R)-6,7-dichloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:C19 H14 Cl2 N2 O2
SMILES:Clc1cc2c(cc1Cl)OCCC2C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C19H14Cl2N2O2/c20-15-7-14-13(5-6-25-18(14)8-16(15)21)19(24)23-17-10-22-9-11-3-1-2-4-12(11)17/h1-4,7-10,13H,5-6H2,(H,23,24)/t13-/m1/s1
Definition date:2023-08-18
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4R)-6,7-dichloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
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
R9Z
R9Z
Name:(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(1-methoxycyclopropyl)methanesulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:C24 H24 Cl N3 O4 S
SMILES:COC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C24H24ClN3O4S/c1-32-24(8-9-24)15-33(30,31)28-13-17-6-7-18(25)10-20(17)21(14-28)23(29)27-22-12-26-11-16-4-2-3-5-19(16)22/h2-7,10-12,21H,8-9,13-15H2,1H3,(H,27,29)/t21-/m1/s1
Definition date:2023-08-22
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(1-methoxycyclopropyl)methanesulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
L6R
L6R
Name:(2R)-2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)pentanamide
Formula:C17 H19 Cl N2 O
SMILES:O=C(Nc1cnccc1C)C(CCC)c1cccc(Cl)c1
InChi:InChI=1S/C17H19ClN2O/c1-3-5-15(13-6-4-7-14(18)10-13)17(21)20-16-11-19-9-8-12(16)2/h4,6-11,15H,3,5H2,1-2H3,(H,20,21)/t15-/m1/s1
Definition date:2023-08-15
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(2R)-2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)pentanamide
VQ0
VQ0
Name:3-chloro-5-{4-chloro-2-[2-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}benzonitrile
Formula:C19 H12 Cl3 N3 O4
SMILES:N#Cc1cc(cc(Cl)c1)Oc1ccc(Cl)cc1OCCN1C=C(Cl)C(=O)NC1=O
InChi:InChI=1S/C19H12Cl3N3O4/c20-12-1-2-16(29-14-6-11(9-23)5-13(21)7-14)17(8-12)28-4-3-25-10-15(22)18(26)24-19(25)27/h1-2,5-8,10H,3-4H2,(H,24,26,27)
Definition date:2023-09-15
Last modified:2023-11-03
Release date:2023-11-08
Identifier:3-chloro-5-{4-chloro-2-[2-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}benzonitrile
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
QI7
QI7
Name:(4R)-6-chloro-1-[(1H-imidazol-2-yl)methyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
Formula:C23 H20 Cl N5 O
SMILES:Clc1ccc2c(c1)C(CCN2Cc1ncc[NH]1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C23H20ClN5O/c24-16-5-6-21-19(11-16)18(7-10-29(21)14-22-26-8-9-27-22)23(30)28-20-13-25-12-15-3-1-2-4-17(15)20/h1-6,8-9,11-13,18H,7,10,14H2,(H,26,27)(H,28,30)/t18-/m1/s1
Definition date:2023-08-18
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4R)-6-chloro-1-[(1H-imidazol-2-yl)methyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
NM0
NM0
Name:2-(3-chlorophenyl)-N-[(4R)-imidazo[1,2-a]pyridin-3-yl]acetamide
Formula:C15 H12 Cl N3 O
SMILES:Clc1cccc(c1)CC(=O)Nc1cnc2ccccn12
InChi:InChI=1S/C15H12ClN3O/c16-12-5-3-4-11(8-12)9-15(20)18-14-10-17-13-6-1-2-7-19(13)14/h1-8,10H,9H2,(H,18,20)
Definition date:2023-08-16
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(3-chlorophenyl)-N-[(4R)-imidazo[1,2-a]pyridin-3-yl]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
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
QIB
QIB
Name:(4S)-6-chloro-4-hydroxy-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:C19 H15 Cl N2 O3
SMILES:Clc1ccc2OCCC(O)(c2c1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C19H15ClN2O3/c20-13-5-6-17-15(9-13)19(24,7-8-25-17)18(23)22-16-11-21-10-12-3-1-2-4-14(12)16/h1-6,9-11,24H,7-8H2,(H,22,23)/t19-/m0/s1
Definition date:2023-08-18
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4S)-6-chloro-4-hydroxy-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-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
L7F
L7F
Name:2-[(1S,5R)-bicyclo[3.1.0]hexan-1-yl]-N-(4-methylpyridin-3-yl)acetamide
Formula:C14 H18 N2 O
SMILES:O=C(Nc1cnccc1C)CC12CC2CCC1
InChi:InChI=1S/C14H18N2O/c1-10-4-6-15-9-12(10)16-13(17)8-14-5-2-3-11(14)7-14/h4,6,9,11H,2-3,5,7-8H2,1H3,(H,16,17)/t11-,14+/m1/s1
Definition date:2023-08-15
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-[(1S,5R)-bicyclo[3.1.0]hexan-1-yl]-N-(4-methylpyridin-3-yl)acetamide
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
VQK
VQK
Name:N-(3-{2-[5-chloro-2-(3-chloro-5-cyanophenoxy)phenoxy]ethyl}phenyl)prop-2-enamide
Formula:C24 H18 Cl2 N2 O3
SMILES:Clc1cc(OCCc2cccc(NC(=O)C=C)c2)c(Oc2cc(C#N)cc(Cl)c2)cc1
InChi:InChI=1S/C24H18Cl2N2O3/c1-2-24(29)28-20-5-3-4-16(11-20)8-9-30-23-14-18(25)6-7-22(23)31-21-12-17(15-27)10-19(26)13-21/h2-7,10-14H,1,8-9H2,(H,28,29)
Definition date:2023-09-15
Last modified:2023-11-03
Release date:2023-11-08
Identifier:N-(3-{2-[5-chloro-2-(3-chloro-5-cyanophenoxy)phenoxy]ethyl}phenyl)prop-2-enamide
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
QIM
QIM
Name:(4R)-6-chloro-N-[6-(methanesulfonyl)isoquinolin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:C20 H17 Cl N2 O4 S
SMILES:CS(=O)(=O)c1cc2c(cc1)cncc2NC(=O)C1CCOc2ccc(Cl)cc21
InChi:InChI=1S/C20H17ClN2O4S/c1-28(25,26)14-4-2-12-10-22-11-18(16(12)9-14)23-20(24)15-6-7-27-19-5-3-13(21)8-17(15)19/h2-5,8-11,15H,6-7H2,1H3,(H,23,24)/t15-/m1/s1
Definition date:2023-08-18
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4R)-6-chloro-N-[6-(methanesulfonyl)isoquinolin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide
RAQ
RAQ
Name:(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(oxan-4-yl)methanesulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:C25 H26 Cl N3 O4 S
SMILES:O=S(=O)(CC1CCOCC1)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C25H26ClN3O4S/c26-20-6-5-19-14-29(34(31,32)16-17-7-9-33-10-8-17)15-23(22(19)11-20)25(30)28-24-13-27-12-18-3-1-2-4-21(18)24/h1-6,11-13,17,23H,7-10,14-16H2,(H,28,30)/t23-/m1/s1
Definition date:2023-08-22
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(oxan-4-yl)methanesulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
O1X
O1X
Name:(2S)-2-(difluoromethoxy)-N-(4-methylpyridin-3-yl)propanamide
Formula:C10 H12 F2 N2 O2
SMILES:O=C(Nc1cnccc1C)C(C)OC(F)F
InChi:InChI=1S/C10H12F2N2O2/c1-6-3-4-13-5-8(6)14-9(15)7(2)16-10(11)12/h3-5,7,10H,1-2H3,(H,14,15)/t7-/m0/s1
Definition date:2023-08-16
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(2S)-2-(difluoromethoxy)-N-(4-methylpyridin-3-yl)propanamide
QIQ
QIQ
Name:2-(5-chloropyridin-3-yl)-N-(isoquinolin-4-yl)acetamide
Formula:C16 H12 Cl N3 O
SMILES:Clc1cc(CC(=O)Nc2cncc3ccccc32)cnc1
InChi:InChI=1S/C16H12ClN3O/c17-13-5-11(7-18-9-13)6-16(21)20-15-10-19-8-12-3-1-2-4-14(12)15/h1-5,7-10H,6H2,(H,20,21)
Definition date:2023-08-18
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(5-chloropyridin-3-yl)-N-(isoquinolin-4-yl)acetamide
XEP
XEP
Name:2-nitrosopropane
Formula:C3 H7 N O
SMILES:CC(N=O)C
InChi:InChI=1S/C3H7NO/c1-3(2)4-5/h3H,1-2H3
Definition date:2020-12-14
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-nitrosopropane
VQT
VQT
Name:(4M)-4-(6-chloro-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}quinazolin-7-yl)-7-fluoro-1,3-benzothiazol-2-amine
Formula:C29 H29 Cl F3 N7 O S
SMILES:FC1CC2(CCCN2C1)COc1nc2c(F)c(c3ccc(F)c4sc(N)nc34)c(Cl)cc2c(n1)N1CC2CCC(N2)C1
InChi:InChI=1S/C29H29ClF3N7OS/c30-19-8-18-23(22(33)21(19)17-4-5-20(32)25-24(17)36-27(34)42-25)37-28(38-26(18)39-11-15-2-3-16(12-39)35-15)41-13-29-6-1-7-40(29)10-14(31)9-29/h4-5,8,14-16,35H,1-3,6-7,9-13H2,(H2,34,36)/t14-,15-,16+,29+/m1/s1
Definition date:2023-09-15
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4M)-4-(6-chloro-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}quinazolin-7-yl)-7-fluoro-1,3-benzothiazol-2-amine

243083

PDB entries from 2025-10-15

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