C155H155F2N17O28 — CID 157475397
(3,4-dimethoxyphenyl)methyl N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl]carbamate;[(1S)-1-(5-fluoro-3-pyridinyl)ethyl] N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl]carbamate;[(1S)-1-(5-fluoro-3-pyridinyl)propyl] N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate;4-[[(S)-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]-phenylmethyl]carbamoyloxymethyl]benzoic acid;(1-pyridin-3-ylcyclopentyl) N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate;[(3R)-3-pyridin-3-ylpyrrolidin-3-yl] N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl]carbamate (PubChem CID 157475397) has the molecular formula C155H155F2N17O28 and a molecular weight of 2742.03 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)methyl N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl]carbamate;[(1S)-1-(5-fluoro-3-pyridinyl)ethyl] N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl]carbamate;[(1S)-1-(5-fluoro-3-pyridinyl)propyl] N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate;4-[[(S)-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]-phenylmethyl]carbamoyloxymethyl]benzoic acid;(1-pyridin-3-ylcyclopentyl) N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate;[(3R)-3-pyridin-3-ylpyrrolidin-3-yl] N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl]carbamate.
| Compound Name | (3,4-dimethoxyphenyl)methyl N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl]carbamate;[(1S)-1-(5-fluoro-3-pyridinyl)ethyl] N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl]carbamate;[(1S)-1-(5-fluoro-3-pyridinyl)propyl] N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate;4-[[(S)-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]-phenylmethyl]carbamoyloxymethyl]benzoic acid;(1-pyridin-3-ylcyclopentyl) N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate;[(3R)-3-pyridin-3-ylpyrrolidin-3-yl] N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl]carbamate |
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| PubChem CID | 157475397 |
| Molecular Formula | C155H155F2N17O28 |
| Molecular Weight | 2742.03 g/mol |
| Exact Mass | 2740.12 |
| IUPAC Name | (3,4-dimethoxyphenyl)methyl N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl]carbamate;[(1S)-1-(5-fluoro-3-pyridinyl)ethyl] N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl]carbamate;[(1S)-1-(5-fluoro-3-pyridinyl)propyl] N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate;4-[[(S)-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]-phenylmethyl]carbamoyloxymethyl]benzoic acid;(1-pyridin-3-ylcyclopentyl) N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate;[(3R)-3-pyridin-3-ylpyrrolidin-3-yl] N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl]carbamate |
| SMILES | CC[C@H](NC(=O)OCc1ccc(OC)c(OC)c1)c1ccc(C(=O)Nc2ccccc2O)cc1.CC[C@H](NC(=O)O[C@@H](C)c1cncc(F)c1)c1ccc(C(=O)Nc2ccccc2O)cc1.CC[C@H](NC(=O)O[C@@]1(c2cccnc2)CCNC1)c1ccc(C(=O)Nc2ccccc2O)cc1.CC[C@H](OC(=O)N[C@@H](C)c1ccc(C(=O)Nc2ccccc2O)cc1)c1cncc(F)c1.C[C@H](NC(=O)OC1(c2cccnc2)CCCC1)c1ccc(C(=O)Nc2ccccc2O)cc1.O=C(N[C@@H](c1ccccc1)c1ccc(C(=O)Nc2ccccc2O)cc1)OCc1ccc(C(=O)O)cc1 |
| InChI | InChI=1S/C29H24N2O6.C26H28N4O4.C26H27N3O4.C26H28N2O6.2C24H24FN3O4/c32-25-9-5-4-8-24(25)30-27(33)22-16-14-21(15-17-22)26(20-6-2-1-3-7-20)31-29(36)37-18-19-10-12-23(13-11-19)28(34)35;1-2-21(30-25(33)34-26(13-15-28-17-26)20-6-5-14-27-16-20)18-9-11-19(12-10-18)24(32)29-22-7-3-4-8-23(22)31;1-18(28-25(32)33-26(14-4-5-15-26)21-7-6-16-27-17-21)19-10-12-20(13-11-19)24(31)29-22-8-2-3-9-23(22)30;1-4-20(28-26(31)34-16-17-9-14-23(32-2)24(15-17)33-3)18-10-12-19(13-11-18)25(30)27-21-7-5-6-8-22(21)29;1-3-20(28-24(31)32-15(2)18-12-19(25)14-26-13-18)16-8-10-17(11-9-16)23(30)27-21-6-4-5-7-22(21)29;1-3-22(18-12-19(25)14-26-13-18)32-24(31)27-15(2)16-8-10-17(11-9-16)23(30)28-20-6-4-5-7-21(20)29/h1-17,26,32H,18H2,(H,30,33)(H,31,36)(H,34,35);3-12,14,16,21,28,31H,2,13,15,17H2,1H3,(H,29,32)(H,30,33);2-3,6-13,16-18,30H,4-5,14-15H2,1H3,(H,28,32)(H,29,31);5-15,20,29H,4,16H2,1-3H3,(H,27,30)(H,28,31);4-15,20,29H,3H2,1-2H3,(H,27,30)(H,28,31);4-15,22,29H,3H2,1-2H3,(H,27,31)(H,28,30)/t26-;21-,26-;18-;20-;15-,20-;15-,22-/m000000/s1 |
| InChIKey | BVNHOSBZNLZMCZ-JZZGNPOVSA-N |
| XLogP | 30.03 |
| TPSA | 645.31 Ų |
| H-Bond Donors | 20 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 44 |
| Heavy Atoms | 202 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2742.03 |
| LogP ≤ 5 | 30.03 |
| H-Bond Donors ≤ 5 | 20 |
| H-Bond Acceptors ≤ 10 | 32 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'} |
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