General Information of the Compound
| Compound ID |
CP0555188
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| Compound Name |
1-(3-Cyano-phenyl)-3-{6-[4-(4-fluoro-benzyl)-piperidin-1-ylmethyl]-benzo[1,3]dioxol-5-yl}-urea
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| Structure |
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| Formula |
C28H27FN4O3
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| Molecular Weight |
486.547
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| Canonical SMILES |
Fc1ccc(CC2CCN(Cc3cc4OCOc4cc3NC(=O)Nc3cccc(c3)C#N)CC2)cc1
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| InChI |
InChI=1S/C28H27FN4O3/c29-23-6-4-19(5-7-23)12-20-8-10-33(11-9-20)17-22-14-26-27(36-18-35-26)15-25(22)32-28(34)31-24-3-1-2-21(13-24)16-30/h1-7,13-15,20H,8-12,17-18H2,(H2,31,32,34)
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| InChIKey |
UUOHPMWYPRJKIN-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