General Information of the Compound
| Compound ID |
CP0415033
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| Compound Name |
2-(4-fluorophenyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)butanamide
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| Structure |
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| Formula |
C32H33F5N2O3
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| Molecular Weight |
588.617
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| Canonical SMILES |
COc1ccc2c(CCOC22CCN(CCC(C(=O)NCc3cc(F)cc(c3)C(F)(F)F)c3ccc(F)cc3)CC2)c1
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| InChI |
InChI=1S/C32H33F5N2O3/c1-41-27-6-7-29-23(18-27)9-15-42-31(29)10-13-39(14-11-31)12-8-28(22-2-4-25(33)5-3-22)30(40)38-20-21-16-24(32(35,36)37)19-26(34)17-21/h2-7,16-19,28H,8-15,20H2,1H3,(H,38,40)
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| InChIKey |
JBPGVGKLUHRKDA-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: PT01021, C-C chemokine receptor type 2
Protein ID: PT04128, C-C chemokine receptor type 2