General Information of the Compound
| Compound ID |
CP0448903
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| Compound Name |
1-{2-[2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-ethyl]-phenyl}-3-(2,5-difluoro-phenyl)-urea
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| Structure |
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| Formula |
C27H29F2N3O2
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| Molecular Weight |
465.544
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| Canonical SMILES |
OC(CN1CCC(Cc2ccccc2)CC1)c1ccccc1NC(=O)Nc1cc(F)ccc1F
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| InChI |
InChI=1S/C27H29F2N3O2/c28-21-10-11-23(29)25(17-21)31-27(34)30-24-9-5-4-8-22(24)26(33)18-32-14-12-20(13-15-32)16-19-6-2-1-3-7-19/h1-11,17,20,26,33H,12-16,18H2,(H2,30,31,34)
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| InChIKey |
XINIMAZPUMKJHH-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