General Information of the Compound
| Compound ID |
CP0880756
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| Compound Name |
N-cyclooctyl-2-(3-((R)-2-((R)-2-hydroxy-2-(4-hydroxy-3-(hydroxymethyl)phenyl)ethylamino)propyl)phenyl)acetamide
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| Structure |
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| Formula |
C28H40N2O4
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| Molecular Weight |
468.638
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| Canonical SMILES |
C[C@H](Cc1cccc(CC(=O)NC2CCCCCCC2)c1)NC[C@H](O)c1ccc(O)c(CO)c1
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| InChI |
InChI=1S/C28H40N2O4/c1-20(29-18-27(33)23-12-13-26(32)24(17-23)19-31)14-21-8-7-9-22(15-21)16-28(34)30-25-10-5-3-2-4-6-11-25/h7-9,12-13,15,17,20,25,27,29,31-33H,2-6,10-11,14,16,18-19H2,1H3,(H,30,34)/t20-,27+/m1/s1
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| InChIKey |
JNIZPGPDAMGVQP-HRFSGMKKSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound