General Information of the Compound
| Compound ID |
CP0496463
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| Compound Name |
N-[[4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide
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| Structure |
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| Formula |
C23H35F3N4O3
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| Molecular Weight |
472.552
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| Canonical SMILES |
CCC(=O)N(CC1(CCOCC1)N1CCN(CC(C)(C)O)CC1)c1cccc(n1)C(F)(F)F
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| InChI |
InChI=1S/C23H35F3N4O3/c1-4-20(31)30(19-7-5-6-18(27-19)23(24,25)26)17-22(8-14-33-15-9-22)29-12-10-28(11-13-29)16-21(2,3)32/h5-7,32H,4,8-17H2,1-3H3
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| InChIKey |
AAFPGACSSOSLPD-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