General Information of the Compound
| Compound ID |
CP0376513
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| Compound Name |
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluorophenyl)-4-(3-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)butanamide
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| Structure |
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| Formula |
C33H33F7N2O2
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| Molecular Weight |
622.625
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| Canonical SMILES |
CC1Cc2ccccc2C2(CCN(CCC(C(=O)NCc3cc(cc(c3)C(F)(F)F)C(F)(F)F)c3ccc(F)cc3)CC2)O1
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| InChI |
InChI=1S/C33H33F7N2O2/c1-21-16-24-4-2-3-5-29(24)31(44-21)11-14-42(15-12-31)13-10-28(23-6-8-27(34)9-7-23)30(43)41-20-22-17-25(32(35,36)37)19-26(18-22)33(38,39)40/h2-9,17-19,21,28H,10-16,20H2,1H3,(H,41,43)
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| InChIKey |
WMUZVSBPEOTIEE-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