General Information of the Compound
| Compound ID |
CP0424962
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| Compound Name |
1-[2-(4-Benzyl-piperidin-1-ylmethyl)-phenyl]-3-(2,5-difluoro-phenyl)-urea
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| Structure |
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| Formula |
C26H27F2N3O
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| Molecular Weight |
435.518
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| Canonical SMILES |
Fc1ccc(F)c(NC(=O)Nc2ccccc2CN2CCC(Cc3ccccc3)CC2)c1
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| InChI |
InChI=1S/C26H27F2N3O/c27-22-10-11-23(28)25(17-22)30-26(32)29-24-9-5-4-8-21(24)18-31-14-12-20(13-15-31)16-19-6-2-1-3-7-19/h1-11,17,20H,12-16,18H2,(H2,29,30,32)
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| InChIKey |
BGGVTZNDSREPFI-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
Protein ID: PT01070, C-C chemokine receptor type 1
Protein ID: PT01215, C-C chemokine receptor type 3