General Information of the Compound
| Compound ID |
CP0509935
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| Compound Name |
1-(2-{2-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-ethyl}-phenyl)-3-(4-fluoro-phenyl)-urea
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| Structure |
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| Formula |
C27H29F2N3O
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| Molecular Weight |
449.545
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| Canonical SMILES |
Fc1ccc(CC2CCN(CCc3ccccc3NC(=O)Nc3ccc(F)cc3)CC2)cc1
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| InChI |
InChI=1S/C27H29F2N3O/c28-23-7-5-20(6-8-23)19-21-13-16-32(17-14-21)18-15-22-3-1-2-4-26(22)31-27(33)30-25-11-9-24(29)10-12-25/h1-12,21H,13-19H2,(H2,30,31,33)
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| InChIKey |
RPTYSBINMOMNIZ-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