General Information of the Compound
| Compound ID |
CP0949377
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| Compound Name |
1-[2-[(2R)-3-[di(propan-2-yl)amino]-2-hydroxypropoxy]-5-hydroxyphenyl]-3-phenylpropan-1-one
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| Structure |
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| Formula |
C24H33NO4
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| Molecular Weight |
399.531
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| Canonical SMILES |
CC(C)N(C[C@@H](O)COc1ccc(O)cc1C(=O)CCc1ccccc1)C(C)C
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| InChI |
InChI=1S/C24H33NO4/c1-17(2)25(18(3)4)15-21(27)16-29-24-13-11-20(26)14-22(24)23(28)12-10-19-8-6-5-7-9-19/h5-9,11,13-14,17-18,21,26-27H,10,12,15-16H2,1-4H3/t21-/m1/s1
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| InChIKey |
JSNDCQGRLFHLCA-OAQYLSRUSA-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