General Information of the Compound
| Compound ID |
CP0434584
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| Compound Name |
1-{6-[4-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-benzo[1,3]dioxol-5-yl}-3-(3-methoxy-phenyl)-urea
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| Structure |
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| Formula |
C28H30FN3O4
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| Molecular Weight |
491.563
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| Canonical SMILES |
COc1cccc(NC(=O)Nc2cc3OCOc3cc2CN2CCC(Cc3ccc(F)cc3)CC2)c1
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| InChI |
InChI=1S/C28H30FN3O4/c1-34-24-4-2-3-23(15-24)30-28(33)31-25-16-27-26(35-18-36-27)14-21(25)17-32-11-9-20(10-12-32)13-19-5-7-22(29)8-6-19/h2-8,14-16,20H,9-13,17-18H2,1H3,(H2,30,31,33)
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| InChIKey |
HWJJZMUNJJXTRC-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