General Information of the Compound
| Compound ID |
CP0963490
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| Compound Name |
1-[2-[(2R)-2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]-5-phenylmethoxyphenyl]-3-phenylpropan-1-one
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| Structure |
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| Formula |
C36H39NO5
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| Molecular Weight |
565.71
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| Canonical SMILES |
O=C(CCc1ccccc1)c1cc(OCc2ccccc2)ccc1OC[C@H](O)CN1CCC(O)(c2ccccc2)CC1
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| InChI |
InChI=1S/C36H39NO5/c38-31(25-37-22-20-36(40,21-23-37)30-14-8-3-9-15-30)27-42-35-19-17-32(41-26-29-12-6-2-7-13-29)24-33(35)34(39)18-16-28-10-4-1-5-11-28/h1-15,17,19,24,31,38,40H,16,18,20-23,25-27H2/t31-/m1/s1
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| InChIKey |
MCVRVJVTDQSDFC-WJOKGBTCSA-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