General Information of the Compound
| Compound ID |
CP0433403
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| Compound Name |
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-cyclopropyl-4-spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-ylbutanamide
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| Structure |
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| Formula |
C29H32F6N2O2
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| Molecular Weight |
554.575
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| Canonical SMILES |
FC(F)(F)c1cc(CNC(=O)C(CCN2CCC3(CC2)OCCc2ccccc32)C2CC2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C29H32F6N2O2/c30-28(31,32)22-15-19(16-23(17-22)29(33,34)35)18-36-26(38)24(20-5-6-20)7-11-37-12-9-27(10-13-37)25-4-2-1-3-21(25)8-14-39-27/h1-4,15-17,20,24H,5-14,18H2,(H,36,38)
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| InChIKey |
YKBMRTZYUFOORD-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