General Information of the Compound
| Compound ID |
CP0433402
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| Compound Name |
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluorophenyl)-4-spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-ylbutanamide
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| Structure |
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| Formula |
C32H31F7N2O2
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| Molecular Weight |
608.598
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| Canonical SMILES |
Fc1ccc(cc1)C(CCN1CCC2(CC1)OCCc1ccccc21)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C32H31F7N2O2/c33-26-7-5-22(6-8-26)27(29(42)40-20-21-17-24(31(34,35)36)19-25(18-21)32(37,38)39)9-13-41-14-11-30(12-15-41)28-4-2-1-3-23(28)10-16-43-30/h1-8,17-19,27H,9-16,20H2,(H,40,42)
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| InChIKey |
QHHGOEMDEWUDCB-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