General Information of the Compound
| Compound ID |
CP0520463
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| Compound Name |
1-(5-(benzyloxy)-2-(3-(4-benzylpiperazin-1-yl)-2-hydroxypropoxy)phenyl)-3-phenylpropan-1-one
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| Structure |
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| Formula |
C36H40N2O4
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| Molecular Weight |
564.726
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| Canonical SMILES |
OC(COc1ccc(OCc2ccccc2)cc1C(=O)CCc1ccccc1)CN1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C36H40N2O4/c39-32(26-38-22-20-37(21-23-38)25-30-12-6-2-7-13-30)28-42-36-19-17-33(41-27-31-14-8-3-9-15-31)24-34(36)35(40)18-16-29-10-4-1-5-11-29/h1-15,17,19,24,32,39H,16,18,20-23,25-28H2
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| InChIKey |
GUKJTWYUEMCIOS-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