General Information of the Compound
| Compound ID |
CP0549544
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| Compound Name |
N-[[4-(4-benzylpiperazin-1-yl)-2,2-dimethyloxan-4-yl]methyl]-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide
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| Structure |
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| Formula |
C28H37F3N4O2
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| Molecular Weight |
518.624
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| Canonical SMILES |
CCC(=O)N(CC1(CCOC(C)(C)C1)N1CCN(Cc2ccccc2)CC1)c1cccc(n1)C(F)(F)F
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| InChI |
InChI=1S/C28H37F3N4O2/c1-4-25(36)35(24-12-8-11-23(32-24)28(29,30)31)21-27(13-18-37-26(2,3)20-27)34-16-14-33(15-17-34)19-22-9-6-5-7-10-22/h5-12H,4,13-21H2,1-3H3
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| InChIKey |
DSGWSBURJGGYAE-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: PT01515, Mu-type opioid receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2