General Information of the Compound
| Compound ID |
CP0844786
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| Compound Name |
N-(cyclohexylmethyl)-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 |
C27H38N2O4
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| Molecular Weight |
454.611
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| Canonical SMILES |
C[C@H](Cc1cccc(CC(=O)NCC2CCCCC2)c1)NC[C@H](O)c1ccc(O)c(CO)c1
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| InChI |
InChI=1S/C27H38N2O4/c1-19(28-17-26(32)23-10-11-25(31)24(15-23)18-30)12-21-8-5-9-22(13-21)14-27(33)29-16-20-6-3-2-4-7-20/h5,8-11,13,15,19-20,26,28,30-32H,2-4,6-7,12,14,16-18H2,1H3,(H,29,33)/t19-,26+/m1/s1
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| InChIKey |
JQZOBQRWGAVKBV-BCHFMIIMSA-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