General Information of the Compound
| Compound ID |
CP0385865
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| Compound Name |
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 |
C26H30F4N2O3
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| Molecular Weight |
494.529
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| Canonical SMILES |
COc1ccc2c(CCOC22CCN(CCCC(=O)NCc3cc(F)cc(c3)C(F)(F)F)CC2)c1
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| InChI |
InChI=1S/C26H30F4N2O3/c1-34-22-4-5-23-19(15-22)6-12-35-25(23)7-10-32(11-8-25)9-2-3-24(33)31-17-18-13-20(26(28,29)30)16-21(27)14-18/h4-5,13-16H,2-3,6-12,17H2,1H3,(H,31,33)
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| InChIKey |
XMQLWLWSABJNMF-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