General Information of the Compound
| Compound ID |
CP0494800
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| Compound Name |
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-ylbutanamide
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| Structure |
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| Formula |
C26H28F6N2O2
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| Molecular Weight |
514.51
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| Canonical SMILES |
FC(F)(F)c1cc(CNC(=O)CCCN2CCC3(CC2)OCCc2ccccc32)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C26H28F6N2O2/c27-25(28,29)20-14-18(15-21(16-20)26(30,31)32)17-33-23(35)6-3-10-34-11-8-24(9-12-34)22-5-2-1-4-19(22)7-13-36-24/h1-2,4-5,14-16H,3,6-13,17H2,(H,33,35)
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| InChIKey |
LLKRKXJNMABFNP-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