4-[4-(dimethylcarbamoyl)phenyl]-N-[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]benzamide;N-[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]-4-[4-[methoxy(methyl)carbamoyl]phenyl]benzamide;8-[[5-[4-[[4-(4-methoxycarbonylphenyl)-2-[3-(2-methoxyethoxy)prop-1-ynyl]benzoyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid;8-[[5-[4-[[4-(1-methoxycarbonylpiperidin-4-yl)piperidine-1-carbonyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid;methyl 4-[4-[[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]carbamoyl]phenyl]piperidine-1-carboxylate;8-[[5-[4-[[2,2,2-trifluoro-1-[4-(4-methoxycarbonylphenyl)phenyl]ethyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid

C240H201F3N20O33 — CID 164994627

IUPAC4-[4-(dimethylcarbamoyl)phenyl]-N-[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]benzamide;N-[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]-4-[4-[methoxy(methyl)carbamoyl]phenyl]benzamide;8-[[5-[4-[[4-(4-methoxycarbonylphenyl)-2-[3-(2-methoxyethoxy)prop-1-ynyl]benzoyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid;8-[[5-[4-[[4-(1-methoxycarbonylpiperidin-4-yl)piperidine-1-carbonyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid;methyl 4-[4-[[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]carbamoyl]phenyl]piperidine-1-carboxylate;8-[[5-[4-[[2,2,2-trifluoro-1-[4-(4-methoxycarbonylphenyl)phenyl]ethyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid
SMILESC=C(O)c1ccc(NC(=O)c2ccc(-c3ccc(NC(=O)c4ccc(-c5ccc(C(=O)N(C)C)cc5)cc4)cc3)cc2)c2ccccc12.C=C(O)c1ccc(NC(=O)c2ccc(-c3ccc(NC(=O)c4ccc(-c5ccc(C(=O)N(C)OC)cc5)cc4)cc3)cc2)c2ccccc12.C=C(O)c1ccc(NC(=O)c2ccc(-c3ccc(NC(=O)c4ccc(C5CCN(C(=O)OC)CC5)cc4)cc3)cc2)c2ccccc12.COC(=O)N1CCC(C2CCN(C(=O)Nc3ccc(-c4ccc(C(=O)Nc5cccc6cccc(C(=O)O)c56)nc4)cc3)CC2)CC1.COC(=O)c1ccc(-c2ccc(C(Nc3ccc(-c4ccc(C(=O)Nc5cccc6cccc(C(=O)O)c56)nc4)cc3)C(F)(F)F)cc2)cc1.COCCOCC#Cc1cc(-c2ccc(C(=O)OC)cc2)ccc1C(=O)Nc1ccc(-c2ccc(C(=O)Nc3cccc4cccc(C(=O)O)c34)nc2)cc1
InChIInChI=1S/C44H35N3O8.C41H33N3O5.C41H33N3O4.C39H28F3N3O5.C39H35N3O5.C36H37N5O6/c1-53-24-25-55-23-5-8-33-26-32(28-11-13-31(14-12-28)44(52)54-2)17-21-36(33)41(48)46-35-19-15-29(16-20-35)34-18-22-39(45-27-34)42(49)47-38-10-4-7-30-6-3-9-37(40(30)38)43(50)51;1-26(45)35-24-25-38(37-7-5-4-6-36(35)37)43-40(47)32-16-10-28(11-17-32)30-20-22-34(23-21-30)42-39(46)31-14-8-27(9-15-31)29-12-18-33(19-13-29)41(48)44(2)49-3;1-26(45)35-24-25-38(37-7-5-4-6-36(35)37)43-40(47)32-16-10-28(11-17-32)30-20-22-34(23-21-30)42-39(46)31-14-8-27(9-15-31)29-12-18-33(19-13-29)41(48)44(2)3;1-50-38(49)28-14-10-24(11-15-28)23-8-12-27(13-9-23)35(39(40,41)42)44-30-19-16-25(17-20-30)29-18-21-33(43-22-29)36(46)45-32-7-3-5-26-4-2-6-31(34(26)32)37(47)48;1-25(43)33-19-20-36(35-6-4-3-5-34(33)35)41-38(45)31-13-7-26(8-14-31)28-15-17-32(18-16-28)40-37(44)30-11-9-27(10-12-30)29-21-23-42(24-22-29)39(46)47-2;1-47-36(46)41-20-16-25(17-21-41)24-14-18-40(19-15-24)35(45)38-28-11-8-23(9-12-28)27-10-13-31(37-22-27)33(42)39-30-7-3-5-26-4-2-6-29(32(26)30)34(43)44/h3-4,6-7,9-22,26-27H,23-25H2,1-2H3,(H,46,48)(H,47,49)(H,50,51);4-25,45H,1H2,2-3H3,(H,42,46)(H,43,47);4-25,45H,1H2,2-3H3,(H,42,46)(H,43,47);2-22,35,44H,1H3,(H,45,46)(H,47,48);3-20,29,43H,1,21-24H2,2H3,(H,40,44)(H,41,45);2-13,22,24-25H,14-21H2,1H3,(H,38,45)(H,39,42)(H,43,44)
InChIKeyHJGDMMWAHMBHDO-UHFFFAOYSA-N
MW3950.35 g/mol
LogP49.40
Rot. Bonds51

About 4-[4-(dimethylcarbamoyl)phenyl]-N-[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]benzamide;N-[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]-4-[4-[methoxy(methyl)carbamoyl]phenyl]benzamide;8-[[5-[4-[[4-(4-methoxycarbonylphenyl)-2-[3-(2-methoxyethoxy)prop-1-ynyl]benzoyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid;8-[[5-[4-[[4-(1-methoxycarbonylpiperidin-4-yl)piperidine-1-carbonyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid;methyl 4-[4-[[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]carbamoyl]phenyl]piperidine-1-carboxylate;8-[[5-[4-[[2,2,2-trifluoro-1-[4-(4-methoxycarbonylphenyl)phenyl]ethyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid

4-[4-(dimethylcarbamoyl)phenyl]-N-[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]benzamide;N-[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]-4-[4-[methoxy(methyl)carbamoyl]phenyl]benzamide;8-[[5-[4-[[4-(4-methoxycarbonylphenyl)-2-[3-(2-methoxyethoxy)prop-1-ynyl]benzoyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid;8-[[5-[4-[[4-(1-methoxycarbonylpiperidin-4-yl)piperidine-1-carbonyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid;methyl 4-[4-[[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]carbamoyl]phenyl]piperidine-1-carboxylate;8-[[5-[4-[[2,2,2-trifluoro-1-[4-(4-methoxycarbonylphenyl)phenyl]ethyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid (PubChem CID 164994627) has the molecular formula C240H201F3N20O33 and a molecular weight of 3950.35 g/mol. Its IUPAC name is 4-[4-(dimethylcarbamoyl)phenyl]-N-[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]benzamide;N-[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]-4-[4-[methoxy(methyl)carbamoyl]phenyl]benzamide;8-[[5-[4-[[4-(4-methoxycarbonylphenyl)-2-[3-(2-methoxyethoxy)prop-1-ynyl]benzoyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid;8-[[5-[4-[[4-(1-methoxycarbonylpiperidin-4-yl)piperidine-1-carbonyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid;methyl 4-[4-[[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]carbamoyl]phenyl]piperidine-1-carboxylate;8-[[5-[4-[[2,2,2-trifluoro-1-[4-(4-methoxycarbonylphenyl)phenyl]ethyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-(dimethylcarbamoyl)phenyl]-N-[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]benzamide;N-[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]-4-[4-[methoxy(methyl)carbamoyl]phenyl]benzamide;8-[[5-[4-[[4-(4-methoxycarbonylphenyl)-2-[3-(2-methoxyethoxy)prop-1-ynyl]benzoyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid;8-[[5-[4-[[4-(1-methoxycarbonylpiperidin-4-yl)piperidine-1-carbonyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid;methyl 4-[4-[[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]carbamoyl]phenyl]piperidine-1-carboxylate;8-[[5-[4-[[2,2,2-trifluoro-1-[4-(4-methoxycarbonylphenyl)phenyl]ethyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid
PubChem CID164994627
Molecular FormulaC240H201F3N20O33
Molecular Weight3950.35 g/mol
Exact Mass3947.46
IUPAC Name4-[4-(dimethylcarbamoyl)phenyl]-N-[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]benzamide;N-[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]-4-[4-[methoxy(methyl)carbamoyl]phenyl]benzamide;8-[[5-[4-[[4-(4-methoxycarbonylphenyl)-2-[3-(2-methoxyethoxy)prop-1-ynyl]benzoyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid;8-[[5-[4-[[4-(1-methoxycarbonylpiperidin-4-yl)piperidine-1-carbonyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid;methyl 4-[4-[[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]carbamoyl]phenyl]piperidine-1-carboxylate;8-[[5-[4-[[2,2,2-trifluoro-1-[4-(4-methoxycarbonylphenyl)phenyl]ethyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid
SMILESC=C(O)c1ccc(NC(=O)c2ccc(-c3ccc(NC(=O)c4ccc(-c5ccc(C(=O)N(C)C)cc5)cc4)cc3)cc2)c2ccccc12.C=C(O)c1ccc(NC(=O)c2ccc(-c3ccc(NC(=O)c4ccc(-c5ccc(C(=O)N(C)OC)cc5)cc4)cc3)cc2)c2ccccc12.C=C(O)c1ccc(NC(=O)c2ccc(-c3ccc(NC(=O)c4ccc(C5CCN(C(=O)OC)CC5)cc4)cc3)cc2)c2ccccc12.COC(=O)N1CCC(C2CCN(C(=O)Nc3ccc(-c4ccc(C(=O)Nc5cccc6cccc(C(=O)O)c56)nc4)cc3)CC2)CC1.COC(=O)c1ccc(-c2ccc(C(Nc3ccc(-c4ccc(C(=O)Nc5cccc6cccc(C(=O)O)c56)nc4)cc3)C(F)(F)F)cc2)cc1.COCCOCC#Cc1cc(-c2ccc(C(=O)OC)cc2)ccc1C(=O)Nc1ccc(-c2ccc(C(=O)Nc3cccc4cccc(C(=O)O)c34)nc2)cc1
InChIInChI=1S/C44H35N3O8.C41H33N3O5.C41H33N3O4.C39H28F3N3O5.C39H35N3O5.C36H37N5O6/c1-53-24-25-55-23-5-8-33-26-32(28-11-13-31(14-12-28)44(52)54-2)17-21-36(33)41(48)46-35-19-15-29(16-20-35)34-18-22-39(45-27-34)42(49)47-38-10-4-7-30-6-3-9-37(40(30)38)43(50)51;1-26(45)35-24-25-38(37-7-5-4-6-36(35)37)43-40(47)32-16-10-28(11-17-32)30-20-22-34(23-21-30)42-39(46)31-14-8-27(9-15-31)29-12-18-33(19-13-29)41(48)44(2)49-3;1-26(45)35-24-25-38(37-7-5-4-6-36(35)37)43-40(47)32-16-10-28(11-17-32)30-20-22-34(23-21-30)42-39(46)31-14-8-27(9-15-31)29-12-18-33(19-13-29)41(48)44(2)3;1-50-38(49)28-14-10-24(11-15-28)23-8-12-27(13-9-23)35(39(40,41)42)44-30-19-16-25(17-20-30)29-18-21-33(43-22-29)36(46)45-32-7-3-5-26-4-2-6-31(34(26)32)37(47)48;1-25(43)33-19-20-36(35-6-4-3-5-34(33)35)41-38(45)31-13-7-26(8-14-31)28-15-17-32(18-16-28)40-37(44)30-11-9-27(10-12-30)29-21-23-42(24-22-29)39(46)47-2;1-47-36(46)41-20-16-25(17-21-41)24-14-18-40(19-15-24)35(45)38-28-11-8-23(9-12-28)27-10-13-31(37-22-27)33(42)39-30-7-3-5-26-4-2-6-29(32(26)30)34(43)44/h3-4,6-7,9-22,26-27H,23-25H2,1-2H3,(H,46,48)(H,47,49)(H,50,51);4-25,45H,1H2,2-3H3,(H,42,46)(H,43,47);4-25,45H,1H2,2-3H3,(H,42,46)(H,43,47);2-22,35,44H,1H3,(H,45,46)(H,47,48);3-20,29,43H,1,21-24H2,2H3,(H,40,44)(H,41,45);2-13,22,24-25H,14-21H2,1H3,(H,38,45)(H,39,42)(H,43,44)
InChIKeyHJGDMMWAHMBHDO-UHFFFAOYSA-N
XLogP49.40
TPSA726.62 Ų
H-Bond Donors18
H-Bond Acceptors34
Rotatable Bonds51
Heavy Atoms296
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003950.35
LogP ≤ 549.40
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1034

Analyze 4-[4-(dimethylcarbamoyl)phenyl]-N-[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]benzamide;N-[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]-4-[4-[methoxy(methyl)carbamoyl]phenyl]benzamide;8-[[5-[4-[[4-(4-methoxycarbonylphenyl)-2-[3-(2-methoxyethoxy)prop-1-ynyl]benzoyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid;8-[[5-[4-[[4-(1-methoxycarbonylpiperidin-4-yl)piperidine-1-carbonyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid;methyl 4-[4-[[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]carbamoyl]phenyl]piperidine-1-carboxylate;8-[[5-[4-[[2,2,2-trifluoro-1-[4-(4-methoxycarbonylphenyl)phenyl]ethyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylcarbamoyl)phenyl]-N-[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]benzamide;N-[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]-4-[4-[methoxy(methyl)carbamoyl]phenyl]benzamide;8-[[5-[4-[[4-(4-methoxycarbonylphenyl)-2-[3-(2-methoxyethoxy)prop-1-ynyl]benzoyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid;8-[[5-[4-[[4-(1-methoxycarbonylpiperidin-4-yl)piperidine-1-carbonyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid;methyl 4-[4-[[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]carbamoyl]phenyl]piperidine-1-carboxylate;8-[[5-[4-[[2,2,2-trifluoro-1-[4-(4-methoxycarbonylphenyl)phenyl]ethyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid?
The IUPAC name of 4-[4-(dimethylcarbamoyl)phenyl]-N-[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]benzamide;N-[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]-4-[4-[methoxy(methyl)carbamoyl]phenyl]benzamide;8-[[5-[4-[[4-(4-methoxycarbonylphenyl)-2-[3-(2-methoxyethoxy)prop-1-ynyl]benzoyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid;8-[[5-[4-[[4-(1-methoxycarbonylpiperidin-4-yl)piperidine-1-carbonyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid;methyl 4-[4-[[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]carbamoyl]phenyl]piperidine-1-carboxylate;8-[[5-[4-[[2,2,2-trifluoro-1-[4-(4-methoxycarbonylphenyl)phenyl]ethyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid (CID 164994627) is 4-[4-(dimethylcarbamoyl)phenyl]-N-[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]benzamide;N-[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]-4-[4-[methoxy(methyl)carbamoyl]phenyl]benzamide;8-[[5-[4-[[4-(4-methoxycarbonylphenyl)-2-[3-(2-methoxyethoxy)prop-1-ynyl]benzoyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid;8-[[5-[4-[[4-(1-methoxycarbonylpiperidin-4-yl)piperidine-1-carbonyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid;methyl 4-[4-[[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]carbamoyl]phenyl]piperidine-1-carboxylate;8-[[5-[4-[[2,2,2-trifluoro-1-[4-(4-methoxycarbonylphenyl)phenyl]ethyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid.
What is the SMILES notation for 4-[4-(dimethylcarbamoyl)phenyl]-N-[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]benzamide;N-[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]-4-[4-[methoxy(methyl)carbamoyl]phenyl]benzamide;8-[[5-[4-[[4-(4-methoxycarbonylphenyl)-2-[3-(2-methoxyethoxy)prop-1-ynyl]benzoyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid;8-[[5-[4-[[4-(1-methoxycarbonylpiperidin-4-yl)piperidine-1-carbonyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid;methyl 4-[4-[[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]carbamoyl]phenyl]piperidine-1-carboxylate;8-[[5-[4-[[2,2,2-trifluoro-1-[4-(4-methoxycarbonylphenyl)phenyl]ethyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid?
The canonical SMILES for 4-[4-(dimethylcarbamoyl)phenyl]-N-[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]benzamide;N-[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]-4-[4-[methoxy(methyl)carbamoyl]phenyl]benzamide;8-[[5-[4-[[4-(4-methoxycarbonylphenyl)-2-[3-(2-methoxyethoxy)prop-1-ynyl]benzoyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid;8-[[5-[4-[[4-(1-methoxycarbonylpiperidin-4-yl)piperidine-1-carbonyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid;methyl 4-[4-[[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]carbamoyl]phenyl]piperidine-1-carboxylate;8-[[5-[4-[[2,2,2-trifluoro-1-[4-(4-methoxycarbonylphenyl)phenyl]ethyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid is C=C(O)c1ccc(NC(=O)c2ccc(-c3ccc(NC(=O)c4ccc(-c5ccc(C(=O)N(C)C)cc5)cc4)cc3)cc2)c2ccccc12.C=C(O)c1ccc(NC(=O)c2ccc(-c3ccc(NC(=O)c4ccc(-c5ccc(C(=O)N(C)OC)cc5)cc4)cc3)cc2)c2ccccc12.C=C(O)c1ccc(NC(=O)c2ccc(-c3ccc(NC(=O)c4ccc(C5CCN(C(=O)OC)CC5)cc4)cc3)cc2)c2ccccc12.COC(=O)N1CCC(C2CCN(C(=O)Nc3ccc(-c4ccc(C(=O)Nc5cccc6cccc(C(=O)O)c56)nc4)cc3)CC2)CC1.COC(=O)c1ccc(-c2ccc(C(Nc3ccc(-c4ccc(C(=O)Nc5cccc6cccc(C(=O)O)c56)nc4)cc3)C(F)(F)F)cc2)cc1.COCCOCC#Cc1cc(-c2ccc(C(=O)OC)cc2)ccc1C(=O)Nc1ccc(-c2ccc(C(=O)Nc3cccc4cccc(C(=O)O)c34)nc2)cc1.
What is the InChIKey of 4-[4-(dimethylcarbamoyl)phenyl]-N-[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]benzamide;N-[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]-4-[4-[methoxy(methyl)carbamoyl]phenyl]benzamide;8-[[5-[4-[[4-(4-methoxycarbonylphenyl)-2-[3-(2-methoxyethoxy)prop-1-ynyl]benzoyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid;8-[[5-[4-[[4-(1-methoxycarbonylpiperidin-4-yl)piperidine-1-carbonyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid;methyl 4-[4-[[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]carbamoyl]phenyl]piperidine-1-carboxylate;8-[[5-[4-[[2,2,2-trifluoro-1-[4-(4-methoxycarbonylphenyl)phenyl]ethyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid?
The InChIKey is HJGDMMWAHMBHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H35N3O8.C41H33N3O5.C41H33N3O4.C39H28F3N3O5.C39H35N3O5.C36H37N5O6/c1-53-24-25-55-23-5-8-33-26-32(28-11-13-31(14-12-28)44(52)54-2)17-21-36(33)41(48)46-35-19-15-29(16-20-35)34-18-22-39(45-27-34)42(49)47-38-10-4-7-30-6-3-9-37(40(30)38)43(50)51;1-26(45)35-24-25-38(37-7-5-4-6-36(35)37)43-40(47)32-16-10-28(11-17-32)30-20-22-34(23-21-30)42-39(46)31-14-8-27(9-15-31)29-12-18-33(19-13-29)41(48)44(2)49-3;1-26(45)35-24-25-38(37-7-5-4-6-36(35)37)43-40(47)32-16-10-28(11-17-32)30-20-22-34(23-21-30)42-39(46)31-14-8-27(9-15-31)29-12-18-33(19-13-29)41(48)44(2)3;1-50-38(49)28-14-10-24(11-15-28)23-8-12-27(13-9-23)35(39(40,41)42)44-30-19-16-25(17-20-30)29-18-21-33(43-22-29)36(46)45-32-7-3-5-26-4-2-6-31(34(26)32)37(47)48;1-25(43)33-19-20-36(35-6-4-3-5-34(33)35)41-38(45)31-13-7-26(8-14-31)28-15-17-32(18-16-28)40-37(44)30-11-9-27(10-12-30)29-21-23-42(24-22-29)39(46)47-2;1-47-36(46)41-20-16-25(17-21-41)24-14-18-40(19-15-24)35(45)38-28-11-8-23(9-12-28)27-10-13-31(37-22-27)33(42)39-30-7-3-5-26-4-2-6-29(32(26)30)34(43)44/h3-4,6-7,9-22,26-27H,23-25H2,1-2H3,(H,46,48)(H,47,49)(H,50,51);4-25,45H,1H2,2-3H3,(H,42,46)(H,43,47);4-25,45H,1H2,2-3H3,(H,42,46)(H,43,47);2-22,35,44H,1H3,(H,45,46)(H,47,48);3-20,29,43H,1,21-24H2,2H3,(H,40,44)(H,41,45);2-13,22,24-25H,14-21H2,1H3,(H,38,45)(H,39,42)(H,43,44).
What are the key properties of 4-[4-(dimethylcarbamoyl)phenyl]-N-[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]benzamide;N-[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]-4-[4-[methoxy(methyl)carbamoyl]phenyl]benzamide;8-[[5-[4-[[4-(4-methoxycarbonylphenyl)-2-[3-(2-methoxyethoxy)prop-1-ynyl]benzoyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid;8-[[5-[4-[[4-(1-methoxycarbonylpiperidin-4-yl)piperidine-1-carbonyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid;methyl 4-[4-[[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]carbamoyl]phenyl]piperidine-1-carboxylate;8-[[5-[4-[[2,2,2-trifluoro-1-[4-(4-methoxycarbonylphenyl)phenyl]ethyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid?
4-[4-(dimethylcarbamoyl)phenyl]-N-[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]benzamide;N-[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]-4-[4-[methoxy(methyl)carbamoyl]phenyl]benzamide;8-[[5-[4-[[4-(4-methoxycarbonylphenyl)-2-[3-(2-methoxyethoxy)prop-1-ynyl]benzoyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid;8-[[5-[4-[[4-(1-methoxycarbonylpiperidin-4-yl)piperidine-1-carbonyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid;methyl 4-[4-[[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]carbamoyl]phenyl]piperidine-1-carboxylate;8-[[5-[4-[[2,2,2-trifluoro-1-[4-(4-methoxycarbonylphenyl)phenyl]ethyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid has a molecular weight of 3950.35 g/mol, XLogP of 49.40, 51 rotatable bonds, 18 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylcarbamoyl)phenyl]-N-[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]benzamide;N-[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]-4-[4-[methoxy(methyl)carbamoyl]phenyl]benzamide;8-[[5-[4-[[4-(4-methoxycarbonylphenyl)-2-[3-(2-methoxyethoxy)prop-1-ynyl]benzoyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid;8-[[5-[4-[[4-(1-methoxycarbonylpiperidin-4-yl)piperidine-1-carbonyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid;methyl 4-[4-[[4-[4-[[4-(1-hydroxyethenyl)naphthalen-1-yl]carbamoyl]phenyl]phenyl]carbamoyl]phenyl]piperidine-1-carboxylate;8-[[5-[4-[[2,2,2-trifluoro-1-[4-(4-methoxycarbonylphenyl)phenyl]ethyl]amino]phenyl]pyridine-2-carbonyl]amino]naphthalene-1-carboxylic acid is sourced from PubChem (CID 164994627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).