General Information of the Compound
| Compound ID |
CP0922071
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| Compound Name |
N-(cycloheptylmethyl)-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)NCC2CCCCCC2)c1)NC[C@H](O)c1ccc(O)c(CO)c1
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| InChI |
InChI=1S/C28H40N2O4/c1-20(29-18-27(33)24-11-12-26(32)25(16-24)19-31)13-22-9-6-10-23(14-22)15-28(34)30-17-21-7-4-2-3-5-8-21/h6,9-12,14,16,20-21,27,29,31-33H,2-5,7-8,13,15,17-19H2,1H3,(H,30,34)/t20-,27+/m1/s1
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| InChIKey |
JJXUFDHQIOWCIN-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