General Information of the Compound
| Compound ID |
CP0869418
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| Compound Name |
1-[2-[(2R)-3-(4-benzylpiperazin-1-yl)-2-hydroxypropoxy]-5-hydroxyphenyl]-3-phenylpropan-1-one
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| Structure |
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| Formula |
C29H34N2O4
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| Molecular Weight |
474.601
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| Canonical SMILES |
O=C(CCc1ccccc1)c1cc(O)ccc1OC[C@H](O)CN1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C29H34N2O4/c32-25-12-14-29(27(19-25)28(34)13-11-23-7-3-1-4-8-23)35-22-26(33)21-31-17-15-30(16-18-31)20-24-9-5-2-6-10-24/h1-10,12,14,19,26,32-33H,11,13,15-18,20-22H2/t26-/m1/s1
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| InChIKey |
PSWWQPWWEQLNIU-AREMUKBSSA-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