4-benzyl-2-[(E)-hydroxyiminomethyl]-6-(3-nitrophenyl)phenol;5-[3-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]-1,3-diazinan-2-one;3-(4-chlorophenyl)-1-propyl-7H-purine-2,6-dione;1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carbonitrile;4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;N-(3,5-dichloro-4-pyridinyl)-2-[3-[(4-fluorophenyl)methyl]-6-hydroxy-3H-inden-1-yl]-2-oxoacetamide;N-[4-(8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]acetamide;4-(9-ethoxy-8-methoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)-N,N-di(propan-2-yl)benzamide;methyl 3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate;N-(6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)pyridine-4-carboxamide

C218H229Cl3FN25O30 — CID 172945612

About 4-benzyl-2-[(E)-hydroxyiminomethyl]-6-(3-nitrophenyl)phenol;5-[3-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]-1,3-diazinan-2-one;3-(4-chlorophenyl)-1-propyl-7H-purine-2,6-dione;1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carbonitrile;4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;N-(3,5-dichloro-4-pyridinyl)-2-[3-[(4-fluorophenyl)methyl]-6-hydroxy-3H-inden-1-yl]-2-oxoacetamide;N-[4-(8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]acetamide;4-(9-ethoxy-8-methoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)-N,N-di(propan-2-yl)benzamide;methyl 3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate;N-(6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)pyridine-4-carboxamide

4-benzyl-2-[(E)-hydroxyiminomethyl]-6-(3-nitrophenyl)phenol;5-[3-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]-1,3-diazinan-2-one;3-(4-chlorophenyl)-1-propyl-7H-purine-2,6-dione;1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carbonitrile;4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;N-(3,5-dichloro-4-pyridinyl)-2-[3-[(4-fluorophenyl)methyl]-6-hydroxy-3H-inden-1-yl]-2-oxoacetamide;N-[4-(8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]acetamide;4-(9-ethoxy-8-methoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)-N,N-di(propan-2-yl)benzamide;methyl 3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate;N-(6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)pyridine-4-carboxamide (PubChem CID 172945612) has the molecular formula C218H229Cl3FN25O30 and a molecular weight of 3804.73 g/mol. Its IUPAC name is 4-benzyl-2-[(E)-hydroxyiminomethyl]-6-(3-nitrophenyl)phenol;5-[3-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]-1,3-diazinan-2-one;3-(4-chlorophenyl)-1-propyl-7H-purine-2,6-dione;1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carbonitrile;4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;N-(3,5-dichloro-4-pyridinyl)-2-[3-[(4-fluorophenyl)methyl]-6-hydroxy-3H-inden-1-yl]-2-oxoacetamide;N-[4-(8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]acetamide;4-(9-ethoxy-8-methoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)-N,N-di(propan-2-yl)benzamide;methyl 3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate;N-(6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 4-benzyl-2-[(E)-hydroxyiminomethyl]-6-(3-nitrophenyl)phenol;5-[3-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]-1,3-diazinan-2-one;3-(4-chlorophenyl)-1-propyl-7H-purine-2,6-dione;1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carbonitrile;4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;N-(3,5-dichloro-4-pyridinyl)-2-[3-[(4-fluorophenyl)methyl]-6-hydroxy-3H-inden-1-yl]-2-oxoacetamide;N-[4-(8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]acetamide;4-(9-ethoxy-8-methoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)-N,N-di(propan-2-yl)benzamide;methyl 3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate;N-(6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)pyridine-4-carboxamide
• PubChem CID: 172945612
• Molecular Formula: C218H229Cl3FN25O30
• Molecular Weight: 3804.73 g/mol
• Exact Mass: 3800.62
• IUPAC Name: 4-benzyl-2-[(E)-hydroxyiminomethyl]-6-(3-nitrophenyl)phenol;5-[3-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]-1,3-diazinan-2-one;3-(4-chlorophenyl)-1-propyl-7H-purine-2,6-dione;1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carbonitrile;4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;N-(3,5-dichloro-4-pyridinyl)-2-[3-[(4-fluorophenyl)methyl]-6-hydroxy-3H-inden-1-yl]-2-oxoacetamide;N-[4-(8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]acetamide;4-(9-ethoxy-8-methoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)-N,N-di(propan-2-yl)benzamide;methyl 3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate;N-(6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)pyridine-4-carboxamide
• SMILES: CCCn1c(=O)c2[nH]cnc2n(-c2ccc(Cl)cc2)c1=O.CCOc1cc2c(cc1OC)C(c1ccc(C(=O)N(C(C)C)C(C)C)cc1)=NC1CCN(C)CC21.COC(=O)CC(c1ccc(OC)c(OC)c1)N1Cc2ccccc2C1=O.COc1cc2c(cc1OC)C1CN(C)CCC1N=C2c1ccc(NC(C)=O)cc1.COc1ccc(C(Cc2ccncc2)c2ccccc2)cc1OC1CCCC1.COc1ccc(C2(C#N)CCCC(c3nc(C)no3)C2)cc1OC1CCCC1.COc1ccc(C2CNC(=O)NC2)cc1OC1CC2CCC1C2.Cc1cc2c3c(c1)C(c1ccccc1)=NC(NC(=O)c1ccncc1)C(=O)N3CC2.O=C(Nc1c(Cl)cncc1Cl)C(=O)C1=CC(Cc2ccc(F)cc2)c2ccc(O)cc21.O=[N+]([O-])c1cccc(-c2cc(Cc3ccccc3)cc(/C=N/O)c2O)c1
• InChI: InChI=1S/C29H39N3O3.C25H27NO2.C24H20N4O2.C23H15Cl2FN2O3.C23H27N3O3.C22H27N3O3.C20H16N2O4.C20H21NO5.C18H24N2O3.C14H13ClN4O2/c1-8-35-27-15-22-23(16-26(27)34-7)28(30-25-13-14-31(6)17-24(22)25)20-9-11-21(12-10-20)29(33)32(18(2)3)19(4)5;1-27-24-12-11-21(18-25(24)28-22-9-5-6-10-22)23(20-7-3-2-4-8-20)17-19-13-15-26-16-14-19;1-15-13-18-9-12-28-21(18)19(14-15)20(16-5-3-2-4-6-16)26-22(24(28)30)27-23(29)17-7-10-25-11-8-17;24-19-10-27-11-20(25)21(19)28-23(31)22(30)18-8-13(7-12-1-3-14(26)4-2-12)16-6-5-15(29)9-17(16)18;1-14(27)24-16-7-5-15(6-8-16)23-18-12-22(29-4)21(28-3)11-17(18)19-13-26(2)10-9-20(19)25-23;1-15-24-21(28-25-15)16-6-5-11-22(13-16,14-23)17-9-10-19(26-2)20(12-17)27-18-7-3-4-8-18;23-20-17(13-21-24)10-15(9-14-5-2-1-3-6-14)11-19(20)16-7-4-8-18(12-16)22(25)26;1-24-17-9-8-13(10-18(17)25-2)16(11-19(22)26-3)21-12-14-6-4-5-7-15(14)20(21)23;1-22-15-5-4-12(14-9-19-18(21)20-10-14)8-17(15)23-16-7-11-2-3-13(16)6-11;1-2-7-18-13(20)11-12(17-8-16-11)19(14(18)21)10-5-3-9(15)4-6-10/h9-12,15-16,18-19,24-25H,8,13-14,17H2,1-7H3;2-4,7-8,11-16,18,22-23H,5-6,9-10,17H2,1H3;2-8,10-11,13-14,22H,9,12H2,1H3,(H,27,29);1-6,8-11,13,29H,7H2,(H,27,28,31);5-8,11-12,19-20H,9-10,13H2,1-4H3,(H,24,27);9-10,12,16,18H,3-8,11,13H2,1-2H3;1-8,10-13,23-24H,9H2;4-10,16H,11-12H2,1-3H3;4-5,8,11,13-14,16H,2-3,6-7,9-10H2,1H3,(H2,19,20,21);3-6,8H,2,7H2,1H3,(H,16,17)/b;;;;;;21-13+
• InChIKey: CZZOJCZUUORFMX-RKNOYIBISA-N
• XLogP: 38.88
• TPSA: 677.30 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 45
• Rotatable Bonds: 49
• Heavy Atoms: 277
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3804.73
LogP ≤ 5	38.88
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[(E)-hydroxyiminomethyl]-6-(3-nitrophenyl)phenol;5-[3-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]-1,3-diazinan-2-one;3-(4-chlorophenyl)-1-propyl-7H-purine-2,6-dione;1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carbonitrile;4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;N-(3,5-dichloro-4-pyridinyl)-2-[3-[(4-fluorophenyl)methyl]-6-hydroxy-3H-inden-1-yl]-2-oxoacetamide;N-[4-(8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]acetamide;4-(9-ethoxy-8-methoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)-N,N-di(propan-2-yl)benzamide;methyl 3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate;N-(6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)pyridine-4-carboxamide?

The IUPAC name of 4-benzyl-2-[(E)-hydroxyiminomethyl]-6-(3-nitrophenyl)phenol;5-[3-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]-1,3-diazinan-2-one;3-(4-chlorophenyl)-1-propyl-7H-purine-2,6-dione;1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carbonitrile;4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;N-(3,5-dichloro-4-pyridinyl)-2-[3-[(4-fluorophenyl)methyl]-6-hydroxy-3H-inden-1-yl]-2-oxoacetamide;N-[4-(8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]acetamide;4-(9-ethoxy-8-methoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)-N,N-di(propan-2-yl)benzamide;methyl 3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate;N-(6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)pyridine-4-carboxamide (CID 172945612) is 4-benzyl-2-[(E)-hydroxyiminomethyl]-6-(3-nitrophenyl)phenol;5-[3-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]-1,3-diazinan-2-one;3-(4-chlorophenyl)-1-propyl-7H-purine-2,6-dione;1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carbonitrile;4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;N-(3,5-dichloro-4-pyridinyl)-2-[3-[(4-fluorophenyl)methyl]-6-hydroxy-3H-inden-1-yl]-2-oxoacetamide;N-[4-(8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]acetamide;4-(9-ethoxy-8-methoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)-N,N-di(propan-2-yl)benzamide;methyl 3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate;N-(6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)pyridine-4-carboxamide.

What is the SMILES notation for 4-benzyl-2-[(E)-hydroxyiminomethyl]-6-(3-nitrophenyl)phenol;5-[3-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]-1,3-diazinan-2-one;3-(4-chlorophenyl)-1-propyl-7H-purine-2,6-dione;1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carbonitrile;4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;N-(3,5-dichloro-4-pyridinyl)-2-[3-[(4-fluorophenyl)methyl]-6-hydroxy-3H-inden-1-yl]-2-oxoacetamide;N-[4-(8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]acetamide;4-(9-ethoxy-8-methoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)-N,N-di(propan-2-yl)benzamide;methyl 3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate;N-(6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)pyridine-4-carboxamide?

The canonical SMILES for 4-benzyl-2-[(E)-hydroxyiminomethyl]-6-(3-nitrophenyl)phenol;5-[3-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]-1,3-diazinan-2-one;3-(4-chlorophenyl)-1-propyl-7H-purine-2,6-dione;1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carbonitrile;4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;N-(3,5-dichloro-4-pyridinyl)-2-[3-[(4-fluorophenyl)methyl]-6-hydroxy-3H-inden-1-yl]-2-oxoacetamide;N-[4-(8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]acetamide;4-(9-ethoxy-8-methoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)-N,N-di(propan-2-yl)benzamide;methyl 3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate;N-(6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)pyridine-4-carboxamide is CCCn1c(=O)c2[nH]cnc2n(-c2ccc(Cl)cc2)c1=O.CCOc1cc2c(cc1OC)C(c1ccc(C(=O)N(C(C)C)C(C)C)cc1)=NC1CCN(C)CC21.COC(=O)CC(c1ccc(OC)c(OC)c1)N1Cc2ccccc2C1=O.COc1cc2c(cc1OC)C1CN(C)CCC1N=C2c1ccc(NC(C)=O)cc1.COc1ccc(C(Cc2ccncc2)c2ccccc2)cc1OC1CCCC1.COc1ccc(C2(C#N)CCCC(c3nc(C)no3)C2)cc1OC1CCCC1.COc1ccc(C2CNC(=O)NC2)cc1OC1CC2CCC1C2.Cc1cc2c3c(c1)C(c1ccccc1)=NC(NC(=O)c1ccncc1)C(=O)N3CC2.O=C(Nc1c(Cl)cncc1Cl)C(=O)C1=CC(Cc2ccc(F)cc2)c2ccc(O)cc21.O=[N+]([O-])c1cccc(-c2cc(Cc3ccccc3)cc(/C=N/O)c2O)c1.

What is the InChIKey of 4-benzyl-2-[(E)-hydroxyiminomethyl]-6-(3-nitrophenyl)phenol;5-[3-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]-1,3-diazinan-2-one;3-(4-chlorophenyl)-1-propyl-7H-purine-2,6-dione;1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carbonitrile;4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;N-(3,5-dichloro-4-pyridinyl)-2-[3-[(4-fluorophenyl)methyl]-6-hydroxy-3H-inden-1-yl]-2-oxoacetamide;N-[4-(8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]acetamide;4-(9-ethoxy-8-methoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)-N,N-di(propan-2-yl)benzamide;methyl 3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate;N-(6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)pyridine-4-carboxamide?

The InChIKey is CZZOJCZUUORFMX-RKNOYIBISA-N. The full InChI is InChI=1S/C29H39N3O3.C25H27NO2.C24H20N4O2.C23H15Cl2FN2O3.C23H27N3O3.C22H27N3O3.C20H16N2O4.C20H21NO5.C18H24N2O3.C14H13ClN4O2/c1-8-35-27-15-22-23(16-26(27)34-7)28(30-25-13-14-31(6)17-24(22)25)20-9-11-21(12-10-20)29(33)32(18(2)3)19(4)5;1-27-24-12-11-21(18-25(24)28-22-9-5-6-10-22)23(20-7-3-2-4-8-20)17-19-13-15-26-16-14-19;1-15-13-18-9-12-28-21(18)19(14-15)20(16-5-3-2-4-6-16)26-22(24(28)30)27-23(29)17-7-10-25-11-8-17;24-19-10-27-11-20(25)21(19)28-23(31)22(30)18-8-13(7-12-1-3-14(26)4-2-12)16-6-5-15(29)9-17(16)18;1-14(27)24-16-7-5-15(6-8-16)23-18-12-22(29-4)21(28-3)11-17(18)19-13-26(2)10-9-20(19)25-23;1-15-24-21(28-25-15)16-6-5-11-22(13-16,14-23)17-9-10-19(26-2)20(12-17)27-18-7-3-4-8-18;23-20-17(13-21-24)10-15(9-14-5-2-1-3-6-14)11-19(20)16-7-4-8-18(12-16)22(25)26;1-24-17-9-8-13(10-18(17)25-2)16(11-19(22)26-3)21-12-14-6-4-5-7-15(14)20(21)23;1-22-15-5-4-12(14-9-19-18(21)20-10-14)8-17(15)23-16-7-11-2-3-13(16)6-11;1-2-7-18-13(20)11-12(17-8-16-11)19(14(18)21)10-5-3-9(15)4-6-10/h9-12,15-16,18-19,24-25H,8,13-14,17H2,1-7H3;2-4,7-8,11-16,18,22-23H,5-6,9-10,17H2,1H3;2-8,10-11,13-14,22H,9,12H2,1H3,(H,27,29);1-6,8-11,13,29H,7H2,(H,27,28,31);5-8,11-12,19-20H,9-10,13H2,1-4H3,(H,24,27);9-10,12,16,18H,3-8,11,13H2,1-2H3;1-8,10-13,23-24H,9H2;4-10,16H,11-12H2,1-3H3;4-5,8,11,13-14,16H,2-3,6-7,9-10H2,1H3,(H2,19,20,21);3-6,8H,2,7H2,1H3,(H,16,17)/b;;;;;;21-13+;;;.

What are the key properties of 4-benzyl-2-[(E)-hydroxyiminomethyl]-6-(3-nitrophenyl)phenol;5-[3-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]-1,3-diazinan-2-one;3-(4-chlorophenyl)-1-propyl-7H-purine-2,6-dione;1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carbonitrile;4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;N-(3,5-dichloro-4-pyridinyl)-2-[3-[(4-fluorophenyl)methyl]-6-hydroxy-3H-inden-1-yl]-2-oxoacetamide;N-[4-(8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]acetamide;4-(9-ethoxy-8-methoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)-N,N-di(propan-2-yl)benzamide;methyl 3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate;N-(6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)pyridine-4-carboxamide?

4-benzyl-2-[(E)-hydroxyiminomethyl]-6-(3-nitrophenyl)phenol;5-[3-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]-1,3-diazinan-2-one;3-(4-chlorophenyl)-1-propyl-7H-purine-2,6-dione;1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carbonitrile;4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;N-(3,5-dichloro-4-pyridinyl)-2-[3-[(4-fluorophenyl)methyl]-6-hydroxy-3H-inden-1-yl]-2-oxoacetamide;N-[4-(8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]acetamide;4-(9-ethoxy-8-methoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)-N,N-di(propan-2-yl)benzamide;methyl 3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate;N-(6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)pyridine-4-carboxamide has a molecular weight of 3804.73 g/mol, XLogP of 38.88, 49 rotatable bonds, 9 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 4-benzyl-2-[(E)-hydroxyiminomethyl]-6-(3-nitrophenyl)phenol;5-[3-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]-1,3-diazinan-2-one;3-(4-chlorophenyl)-1-propyl-7H-purine-2,6-dione;1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carbonitrile;4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;N-(3,5-dichloro-4-pyridinyl)-2-[3-[(4-fluorophenyl)methyl]-6-hydroxy-3H-inden-1-yl]-2-oxoacetamide;N-[4-(8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]acetamide;4-(9-ethoxy-8-methoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)-N,N-di(propan-2-yl)benzamide;methyl 3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate;N-(6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)pyridine-4-carboxamide is sourced from PubChem (CID 172945612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).