General Information of the Compound
| Compound ID |
CP0939997
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| Compound Name |
1-[2-[(2R)-3-(diethylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one
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| Structure |
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| Formula |
C22H29NO3
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| Molecular Weight |
355.478
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| Canonical SMILES |
CCN(CC)C[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1
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| InChI |
InChI=1S/C22H29NO3/c1-3-23(4-2)16-19(24)17-26-22-13-9-8-12-20(22)21(25)15-14-18-10-6-5-7-11-18/h5-13,19,24H,3-4,14-17H2,1-2H3/t19-/m1/s1
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| InChIKey |
XBYIRYDJOVXGAL-LJQANCHMSA-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