General Information of the Compound
| Compound ID |
CP0538456
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| Compound Name |
4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)-1-(4-(3-hydroxypropyl)phenyl)butan-1-one
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| Structure |
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| Formula |
C31H37NO3
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| Molecular Weight |
471.641
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| Canonical SMILES |
OCCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C31H37NO3/c33-24-8-9-25-15-17-26(18-16-25)30(34)14-7-21-32-22-19-29(20-23-32)31(35,27-10-3-1-4-11-27)28-12-5-2-6-13-28/h1-6,10-13,15-18,29,33,35H,7-9,14,19-24H2
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| InChIKey |
IYAIWXMTHZPRGI-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