General Information of the Compound
| Compound ID |
CP0403530
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| Compound Name |
1-{5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-pentyl}-3-[2-(4-fluoro-phenyl)-ethyl]-urea
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| Structure |
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| Formula |
C37H41ClFN3O2
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| Molecular Weight |
614.205
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| Canonical SMILES |
OC1(CCN(CCCC(CNC(=O)NCCc2ccc(F)cc2)(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C37H41ClFN3O2/c38-33-16-14-32(15-17-33)37(44)22-26-42(27-23-37)25-7-21-36(30-8-3-1-4-9-30,31-10-5-2-6-11-31)28-41-35(43)40-24-20-29-12-18-34(39)19-13-29/h1-6,8-19,44H,7,20-28H2,(H2,40,41,43)
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| InChIKey |
GFNXQKRIPFSWCM-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