General Information of the Compound
| Compound ID |
CP0452198
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| Compound Name |
2-[1-(1,3-Benzodioxol-5-ylcarbonyl)piperidin-4-ylidene]-N-{(3R)-1-[(6-fluoro-2-naphthyl)methyl]pyrrolidin-3-yl}acetamide
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| Structure |
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| Formula |
C30H30FN3O4
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| Molecular Weight |
515.585
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| Canonical SMILES |
Fc1ccc2cc(CN3CC[C@H](C3)NC(=O)C=C3CCN(CC3)C(=O)c3ccc4OCOc4c3)ccc2c1
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| InChI |
InChI=1S/C30H30FN3O4/c31-25-5-3-22-13-21(1-2-23(22)15-25)17-33-10-9-26(18-33)32-29(35)14-20-7-11-34(12-8-20)30(36)24-4-6-27-28(16-24)38-19-37-27/h1-6,13-16,26H,7-12,17-19H2,(H,32,35)/t26-/m1/s1
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| InChIKey |
CEGOGJRTCSTEOH-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