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VFI
VFI
Name:4-[8-methoxy-2-methyl-1-(1-phenylethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
Formula:C25 H24 N4 O2
SMILES:COc1cc2c(cc1c3c(C)onc3C)ncc4nc(C)n([CH](C)c5ccccc5)c24
InChi:InChI=1S/C25H24N4O2/c1-14-24(16(3)31-28-14)20-11-21-19(12-23(20)30-5)25-22(13-26-21)27-17(4)29(25)15(2)18-9-7-6-8-10-18/h6-13,15H,1-5H3/t15-/m1/s1
Definition date:2023-07-22
Last modified:2024-03-22
Release date:2024-03-27
Identifier:4-[8-methoxy-2-methyl-1-(1-phenylethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
WAL
WAL
Name:(4M)-4-{(4R)-3-[(2S)-2-methylbutyl][1,2,4]triazolo[4,3-a]pyridin-7-yl}-N-(1-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine
Formula:C19 H22 N8
SMILES:Cn1nccc1Nc1nccc(n1)c1cc2nnc(CC(C)CC)n2cc1
InChi:InChI=1S/C19H22N8/c1-4-13(2)11-17-24-25-18-12-14(7-10-27(17)18)15-5-8-20-19(22-15)23-16-6-9-21-26(16)3/h5-10,12-13H,4,11H2,1-3H3,(H,20,22,23)/t13-/m0/s1
Definition date:2023-09-28
Last modified:2024-03-22
Release date:2024-03-27
Identifier:(4M)-4-{(4R)-3-[(2S)-2-methylbutyl][1,2,4]triazolo[4,3-a]pyridin-7-yl}-N-(1-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine
VHU
VHU
Name:(4M)-4-(2-{4-[(3S)-1-acetylpiperidine-3-carbonyl]piperazine-1-carbonyl}-1-benzofuran-7-yl)-1H-isoindol-1-one
Formula:C29 H28 N4 O5
SMILES:CC(=O)N1CCCC(C1)C(=O)N1CCN(CC1)C(=O)c1cc2cccc(c2o1)c1cccc2C(=O)N=Cc21
InChi:InChI=1S/C29H28N4O5/c1-18(34)33-10-4-6-20(17-33)28(36)31-11-13-32(14-12-31)29(37)25-15-19-5-2-8-22(26(19)38-25)21-7-3-9-23-24(21)16-30-27(23)35/h2-3,5,7-9,15-16,20H,4,6,10-14,17H2,1H3/t20-/m0/s1
Definition date:2023-09-12
Last modified:2024-03-22
Release date:2024-03-27
Identifier:(4M)-4-(2-{4-[(3S)-1-acetylpiperidine-3-carbonyl]piperazine-1-carbonyl}-1-benzofuran-7-yl)-1H-isoindol-1-one
WVU
WVU
Name:(phenylmethyl) 3-oxidanylidenepiperazine-1-carboxylate
Formula:C12 H14 N2 O3
SMILES:O=C1CN(CCN1)C(=O)OCc2ccccc2
InChi:InChI=1S/C12H14N2O3/c15-11-8-14(7-6-13-11)12(16)17-9-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,15)
Definition date:2023-10-16
Last modified:2024-03-22
Release date:2024-03-27
Identifier:(phenylmethyl) 3-oxidanylidenepiperazine-1-carboxylate
WVZ
WVZ
Name:(1~{S})-1-phenyl-2,4-dihydro-1~{H}-isoquinolin-3-one
Formula:C15 H13 N O
SMILES:O=C1Cc2ccccc2[CH](N1)c3ccccc3
InChi:InChI=1S/C15H13NO/c17-14-10-12-8-4-5-9-13(12)15(16-14)11-6-2-1-3-7-11/h1-9,15H,10H2,(H,16,17)/t15-/m0/s1
Definition date:2023-10-16
Last modified:2024-03-22
Release date:2024-03-27
Identifier:(1~{S})-1-phenyl-2,4-dihydro-1~{H}-isoquinolin-3-one
WWR
WWR
Name:3-(phenylmethyl)-1~{H}-imidazol-2-one
Formula:C10 H10 N2 O
SMILES:O=C1NC=CN1Cc2ccccc2
InChi:InChI=1S/C10H10N2O/c13-10-11-6-7-12(10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,11,13)
Definition date:2023-10-16
Last modified:2024-03-22
Release date:2024-03-27
Identifier:3-(phenylmethyl)-1~{H}-imidazol-2-one
VK0
VK0
Name:2-[(~{E})-[6-(4-methoxyphenyl)-1-methyl-quinolin-4-ylidene]methyl]-3-methyl-1,3-benzothiazole
Formula:C26 H23 N2 O S
SMILES:COc1ccc(cc1)c1ccc2c(c1)C(C=CN2C)=Cc1sc2ccccc2[n+]1C
InChi:InChI=1S/C26H23N2OS/c1-27-15-14-20(17-26-28(2)24-6-4-5-7-25(24)30-26)22-16-19(10-13-23(22)27)18-8-11-21(29-3)12-9-18/h4-17H,1-3H3/q+1
Definition date:2023-09-13
Last modified:2024-03-22
Release date:2024-03-27
Identifier:2-{(E)-[6-(4-methoxyphenyl)-1-methylquinolin-4(1H)-ylidene]methyl}-3-methyl-1,3-benzothiazol-3-ium
UPO
UPO
Name:4-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-amine
Formula:C22 H24 N4 O3
SMILES:COc1cccc(c1)c2cc(nc(N)n2)N3CCc4cc(OC)c(OC)cc4C3
InChi:InChI=1S/C22H24N4O3/c1-27-17-6-4-5-15(9-17)18-12-21(25-22(23)24-18)26-8-7-14-10-19(28-2)20(29-3)11-16(14)13-26/h4-6,9-12H,7-8,13H2,1-3H3,(H2,23,24,25)
Definition date:2023-06-14
Last modified:2024-03-22
Release date:2024-03-27
Identifier:4-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-amine
WXH
WXH
Name:(4P)-4-[(2P)-2-(1,2,5,6-tetrahydropyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
Formula:C19 H17 F3 N4 O S
SMILES:FC(F)(F)CNC(=O)c1cc(cs1)c1cnc2[NH]c(cc2c1)C1=CCCNC1
InChi:InChI=1S/C19H17F3N4OS/c20-19(21,22)10-25-18(27)16-6-14(9-28-16)13-4-12-5-15(26-17(12)24-8-13)11-2-1-3-23-7-11/h2,4-6,8-9,23H,1,3,7,10H2,(H,24,26)(H,25,27)
Definition date:2023-05-22
Last modified:2024-03-22
Release date:2024-03-27
Identifier:(4P)-4-[(2P)-2-(1,2,5,6-tetrahydropyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
VKI
VKI
Name:3-[2,16-dioxo-20-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-6,9,12-trioxa-3,15-diazaicosan-1-yl]-2-{(E)-[6-(4-methoxyphenyl)-1-methylquinolin-4(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium
Formula:C45 H55 N6 O7 S2
SMILES:O=C1NC2C(CCCCC(=O)NCCOCCOCCOCCNC(=O)C[n+]3c4ccccc4sc3/C=C3C=CN(C)c4ccc(cc43)c3ccc(OC)cc3)SCC2N1
InChi:InChI=1S/C45H54N6O7S2/c1-50-20-17-33(35-27-32(13-16-37(35)50)31-11-14-34(55-2)15-12-31)28-43-51(38-7-3-4-8-39(38)60-43)29-42(53)47-19-22-57-24-26-58-25-23-56-21-18-46-41(52)10-6-5-9-40-44-36(30-59-40)48-45(54)49-44/h3-4,7-8,11-17,20,27-28,36,40,44H,5-6,9-10,18-19,21-26,29-30H2,1-2H3,(H3-,46,47,48,49,52,53,54)/p+1
Definition date:2023-09-13
Last modified:2024-03-22
Release date:2024-03-27
Identifier:3-[2,16-dioxo-20-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-6,9,12-trioxa-3,15-diazaicosan-1-yl]-2-{(E)-[6-(4-methoxyphenyl)-1-methylquinolin-4(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium
VLR
VLR
Name:3-{2,16-dioxo-20-[(3aS,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-2-{(E)-[6-(4-methoxyphenyl)-1-methylquinolin-4(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium
Formula:C45 H55 N6 O7 S2
SMILES:O=C1NC2C(CCCCC(=O)NCCOCCOCCOCCNC(=O)C[n+]3c4ccccc4sc3/C=C3C=CN(C)c4ccc(cc43)c3ccc(OC)cc3)SCC2N1
InChi:InChI=1S/C45H54N6O7S2/c1-50-20-17-33(35-27-32(13-16-37(35)50)31-11-14-34(55-2)15-12-31)28-43-51(38-7-3-4-8-39(38)60-43)29-42(53)47-19-22-57-24-26-58-25-23-56-21-18-46-41(52)10-6-5-9-40-44-36(30-59-40)48-45(54)49-44/h3-4,7-8,11-17,20,27-28,36,40,44H,5-6,9-10,18-19,21-26,29-30H2,1-2H3,(H3-,46,47,48,49,52,53,54)/p+1/t36-,40-,44+/m1/s1
Definition date:2023-09-13
Last modified:2024-03-22
Release date:2024-03-27
Identifier:3-{2,16-dioxo-20-[(3aS,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-2-{(E)-[6-(4-methoxyphenyl)-1-methylquinolin-4(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium
XVC
XVC
Name:6-azido-6-deoxy-alpha-D-glucopyranose
Formula:C6 H11 N3 O5
SMILES:OC1C(O)C(CN=[N+]=[N-])OC(O)C1O
InChi:InChI=1S/C6H11N3O5/c7-9-8-1-2-3(10)4(11)5(12)6(13)14-2/h2-6,10-13H,1H2/t2-,3-,4+,5-,6+/m1/s1
Definition date:2023-11-13
Last modified:2024-03-22
Release date:2024-03-27
Identifier:6-azido-6-deoxy-alpha-D-glucopyranose
XVI
XVI
Name:2-[bis(fluoranyl)methoxy]-4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-~{N}-[(1~{R},2~{S})-2-fluoranylcyclopropyl]-6-methoxy-benzamide
Formula:C23 H21 F3 N4 O3
SMILES:COc1cc(cc(OC(F)F)c1C(=O)N[CH]2C[CH]2F)c3cnn4cc(ccc34)C(C)(C)C#N
InChi:InChI=1S/C23H21F3N4O3/c1-23(2,11-27)13-4-5-17-14(9-28-30(17)10-13)12-6-18(32-3)20(19(7-12)33-22(25)26)21(31)29-16-8-15(16)24/h4-7,9-10,15-16,22H,8H2,1-3H3,(H,29,31)/t15-,16+/m0/s1
Definition date:2023-11-14
Last modified:2024-03-22
Release date:2024-03-27
Identifier:2-[bis(fluoranyl)methoxy]-4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-~{N}-[(1~{R},2~{S})-2-fluoranylcyclopropyl]-6-methoxy-benzamide
WZ9
WZ9
Name:7-azanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one
Formula:C14 H13 N3 O
SMILES:Nc1cccc2N(Cc3ccccc3)C(=O)Nc12
InChi:InChI=1S/C14H13N3O/c15-11-7-4-8-12-13(11)16-14(18)17(12)9-10-5-2-1-3-6-10/h1-8H,9,15H2,(H,16,18)
Definition date:2023-10-17
Last modified:2024-03-22
Release date:2024-03-27
Identifier:7-azanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one
VMD
VMD
Name:4-[[1-[3-[[(2~{R})-2-oxidanyl-2-[(4~{S},5~{R})-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethyl]amino]propyl]-1,2,3-triazol-4-yl]methylamino]benzenesulfonamide
Formula:C20 H32 N6 O5 S
SMILES:C[CH]1OC(C)(C)O[CH]1[CH](O)CNCCCn2cc(CNc3ccc(cc3)[S](N)(=O)=O)nn2
InChi:InChI=1S/C20H32N6O5S/c1-14-19(31-20(2,3)30-14)18(27)12-22-9-4-10-26-13-16(24-25-26)11-23-15-5-7-17(8-6-15)32(21,28)29/h5-8,13-14,18-19,22-23,27H,4,9-12H2,1-3H3,(H2,21,28,29)/t14-,18-,19-/m1/s1
Definition date:2023-03-20
Last modified:2024-03-22
Release date:2024-03-27
Identifier:4-[[1-[3-[[(2~{R})-2-oxidanyl-2-[(4~{S},5~{R})-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethyl]amino]propyl]-1,2,3-triazol-4-yl]methylamino]benzenesulfonamide
WZL
WZL
Name:7-bromanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one
Formula:C14 H11 Br N2 O
SMILES:Brc1cccc2N(Cc3ccccc3)C(=O)Nc12
InChi:InChI=1S/C14H11BrN2O/c15-11-7-4-8-12-13(11)16-14(18)17(12)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,16,18)
Definition date:2023-10-17
Last modified:2024-03-22
Release date:2024-03-27
Identifier:7-bromanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one
WZR
WZR
Name:(4~{R})-7-oxidanyl-4-phenyl-3,4-dihydro-1~{H}-quinolin-2-one
Formula:C15 H13 N O2
SMILES:Oc1ccc2[CH](CC(=O)Nc2c1)c3ccccc3
InChi:InChI=1S/C15H13NO2/c17-11-6-7-12-13(10-4-2-1-3-5-10)9-15(18)16-14(12)8-11/h1-8,13,17H,9H2,(H,16,18)/t13-/m1/s1
Definition date:2023-10-17
Last modified:2024-03-22
Release date:2024-03-27
Identifier:(4~{R})-7-oxidanyl-4-phenyl-3,4-dihydro-1~{H}-quinolin-2-one
WZX
WZX
Name:ethyl 2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethanoate
Formula:C12 H14 N2 O3
SMILES:CCOC(=O)CN1CC(=O)Nc2ccccc12
InChi:InChI=1S/C12H14N2O3/c1-2-17-12(16)8-14-7-11(15)13-9-5-3-4-6-10(9)14/h3-6H,2,7-8H2,1H3,(H,13,15)
Definition date:2023-10-17
Last modified:2024-03-22
Release date:2024-03-27
Identifier:ethyl 2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethanoate
X0H
X0H
Name:methyl 2-(2-oxidanylidene-1~{H}-quinolin-4-yl)ethanoate
Formula:C12 H11 N O3
SMILES:COC(=O)CC1=CC(=O)Nc2ccccc12
InChi:InChI=1S/C12H11NO3/c1-16-12(15)7-8-6-11(14)13-10-5-3-2-4-9(8)10/h2-6H,7H2,1H3,(H,13,14)
Definition date:2023-10-17
Last modified:2024-03-22
Release date:2024-03-27
Identifier:methyl 2-(2-oxidanylidene-1~{H}-quinolin-4-yl)ethanoate
Q73
Q73
Name:(3~{S},5~{R},6~{E},8~{Z},10~{R},12~{E},14~{E},16~{S})-3,16-bis(azanyl)-8,10,12-trimethyl-16-[(2~{S},4~{R},5~{S},6~{S})-5-methyl-4-oxidanyl-6-[(~{E})-prop-1-enyl]oxan-2-yl]-5-oxidanyl-hexadeca-6,8,12,14-tetraenoic acid
Formula:C28 H46 N2 O5
SMILES:CC=C[CH]1O[CH](C[CH](O)[CH]1C)[CH](N)C=CC=C(C)C[CH](C)C=C(C)C=C[CH](O)C[CH](N)CC(O)=O
InChi:InChI=1S/C28H46N2O5/c1-6-8-26-21(5)25(32)17-27(35-26)24(30)10-7-9-18(2)13-20(4)14-19(3)11-12-23(31)15-22(29)16-28(33)34/h6-12,14,20-27,31-32H,13,15-17,29-30H2,1-5H3,(H,33,34)/b8-6+,10-7+,12-11+,18-9+,19-14-/t20-,21+,22+,23+,24+,25-,26+,27+/m1/s1
Definition date:2023-03-24
Last modified:2024-03-22
Release date:2024-03-27
Identifier:(3~{S},5~{R},6~{E},8~{Z},10~{R},12~{E},14~{E},16~{S})-3,16-bis(azanyl)-8,10,12-trimethyl-16-[(2~{S},4~{R},5~{S},6~{S})-5-methyl-4-oxidanyl-6-[(~{E})-prop-1-enyl]oxan-2-yl]-5-oxidanyl-hexadeca-6,8,12,14-tetraenoic acid
Q9F
Q9F
Name:4-(4-chlorophenyl)-2-oxidanyl-6-[(4-phenylphenyl)sulfonylamino]benzoic acid
Formula:C25 H18 Cl N O5 S
SMILES:OC(=O)c1c(O)cc(cc1N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c4ccc(Cl)cc4
InChi:InChI=1S/C25H18ClNO5S/c26-20-10-6-18(7-11-20)19-14-22(24(25(29)30)23(28)15-19)27-33(31,32)21-12-8-17(9-13-21)16-4-2-1-3-5-16/h1-15,27-28H,(H,29,30)
Definition date:2023-03-28
Last modified:2024-03-22
Release date:2024-03-27
Identifier:4-(4-chlorophenyl)-2-oxidanyl-6-[(4-phenylphenyl)sulfonylamino]benzoic acid
Q9L
Q9L
Name:4-(4-chlorophenyl)-2-[(4-phenylphenyl)sulfonylamino]benzoic acid
Formula:C25 H18 Cl N O4 S
SMILES:OC(=O)c1ccc(cc1N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c4ccc(Cl)cc4
InChi:InChI=1S/C25H18ClNO4S/c26-21-11-6-19(7-12-21)20-10-15-23(25(28)29)24(16-20)27-32(30,31)22-13-8-18(9-14-22)17-4-2-1-3-5-17/h1-16,27H,(H,28,29)
Definition date:2023-03-28
Last modified:2024-03-22
Release date:2024-03-27
Identifier:4-(4-chlorophenyl)-2-[(4-phenylphenyl)sulfonylamino]benzoic acid
Q9R
Q9R
Name:5-(3-chloranyl-4-fluoranyl-phenyl)-2-oxidanyl-3-[(4-phenylphenyl)sulfonylamino]benzoic acid
Formula:C25 H17 Cl F N O5 S
SMILES:OC(=O)c1cc(cc(N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c1O)c4ccc(F)c(Cl)c4
InChi:InChI=1S/C25H17ClFNO5S/c26-21-13-17(8-11-22(21)27)18-12-20(25(30)31)24(29)23(14-18)28-34(32,33)19-9-6-16(7-10-19)15-4-2-1-3-5-15/h1-14,28-29H,(H,30,31)
Definition date:2023-03-28
Last modified:2024-03-22
Release date:2024-03-27
Identifier:5-(3-chloranyl-4-fluoranyl-phenyl)-2-oxidanyl-3-[(4-phenylphenyl)sulfonylamino]benzoic acid
QA0
QA0
Name:5-(4-chlorophenyl)-3-[(4-phenylphenyl)sulfonylamino]phthalic acid
Formula:C26 H18 Cl N O6 S
SMILES:OC(=O)c1cc(cc(N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c1C(O)=O)c4ccc(Cl)cc4
InChi:InChI=1S/C26H18ClNO6S/c27-20-10-6-18(7-11-20)19-14-22(25(29)30)24(26(31)32)23(15-19)28-35(33,34)21-12-8-17(9-13-21)16-4-2-1-3-5-16/h1-15,28H,(H,29,30)(H,31,32)
Definition date:2023-03-28
Last modified:2024-03-22
Release date:2024-03-27
Identifier:5-(4-chlorophenyl)-3-[(4-phenylphenyl)sulfonylamino]phthalic acid
QA3
QA3
Name:4-(4-chloranyl-2-oxidanyl-phenyl)-2-[(4-phenylphenyl)sulfonylamino]benzoic acid
Formula:C25 H18 Cl N O5 S
SMILES:OC(=O)c1ccc(cc1N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c4ccc(Cl)cc4O
InChi:InChI=1S/C25H18ClNO5S/c26-19-9-13-21(24(28)15-19)18-8-12-22(25(29)30)23(14-18)27-33(31,32)20-10-6-17(7-11-20)16-4-2-1-3-5-16/h1-15,27-28H,(H,29,30)
Definition date:2023-03-28
Last modified:2024-03-22
Release date:2024-03-27
Identifier:4-(4-chloranyl-2-oxidanyl-phenyl)-2-[(4-phenylphenyl)sulfonylamino]benzoic acid

226262

PDB entries from 2024-10-16

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