General Information of the Compound
| Compound ID |
CP0275143
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| Compound Name |
2-(hydroxymethyl)-4-[(1R)-1-hydroxy-2-[2-[4-[(2-phenylethylamino)methyl]phenyl]ethylamino]ethyl]phenol
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| Structure |
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| Formula |
C26H32N2O3
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| Molecular Weight |
420.553
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| Canonical SMILES |
OCc1cc(ccc1O)[C@@H](O)CNCCc1ccc(CNCCc2ccccc2)cc1
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| InChI |
InChI=1S/C26H32N2O3/c29-19-24-16-23(10-11-25(24)30)26(31)18-28-15-13-21-6-8-22(9-7-21)17-27-14-12-20-4-2-1-3-5-20/h1-11,16,26-31H,12-15,17-19H2/t26-/m0/s1
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| InChIKey |
MAHVPNQMFKXCMV-SANMLTNESA-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