General Information of the Compound
| Compound ID |
CP0552267
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| Compound Name |
1-(2-(3-(dibenzhydrylamino)-2-hydroxypropoxy)phenyl)-3-phenylpropan-1-one
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| Structure |
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| Formula |
C44H41NO3
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| Molecular Weight |
631.816
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| Canonical SMILES |
OC(COc1ccccc1C(=O)CCc1ccccc1)CN(C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C44H41NO3/c46-39(33-48-42-29-17-16-28-40(42)41(47)31-30-34-18-6-1-7-19-34)32-45(43(35-20-8-2-9-21-35)36-22-10-3-11-23-36)44(37-24-12-4-13-25-37)38-26-14-5-15-27-38/h1-29,39,43-44,46H,30-33H2
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| InChIKey |
DUYYJZWJGLQXPZ-UHFFFAOYSA-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