General Information of the Compound
| Compound ID |
CP0522974
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| Compound Name |
1-(benzo[d][1,3]dioxol-5-yl)-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butan-1-one
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| Structure |
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| Formula |
C29H31NO4
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| Molecular Weight |
457.57
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| Canonical SMILES |
OC(C1CCN(CCCC(=O)c2ccc3OCOc3c2)CC1)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C29H31NO4/c31-26(22-13-14-27-28(20-22)34-21-33-27)12-7-17-30-18-15-25(16-19-30)29(32,23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-11,13-14,20,25,32H,7,12,15-19,21H2
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| InChIKey |
GTVHXLDACMVUIE-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