General Information of the Compound
| Compound ID |
CP0436965
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| Compound Name |
3-(4-(4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butanoyl)phenyl)propyl acetate
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| Structure |
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| Formula |
C33H39NO4
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| Molecular Weight |
513.678
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| Canonical SMILES |
CC(=O)OCCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C33H39NO4/c1-26(35)38-25-9-10-27-16-18-28(19-17-27)32(36)15-8-22-34-23-20-31(21-24-34)33(37,29-11-4-2-5-12-29)30-13-6-3-7-14-30/h2-7,11-14,16-19,31,37H,8-10,15,20-25H2,1H3
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| InChIKey |
FSWBIKQBUVIPHY-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