General Information of the Compound
| Compound ID |
CP0478983
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| Compound Name |
N-[(1S)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-1-phenylbutyl]cyclobutanecarboxamide
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| Structure |
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| Formula |
C23H32N4O2
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| Molecular Weight |
396.535
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| Canonical SMILES |
CC(C[C@H](NC(=O)C1CCC1)c1ccccc1)N1CCC(CC1)c1nnc(C)o1
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| InChI |
InChI=1S/C23H32N4O2/c1-16(27-13-11-20(12-14-27)23-26-25-17(2)29-23)15-21(18-7-4-3-5-8-18)24-22(28)19-9-6-10-19/h3-5,7-8,16,19-21H,6,9-15H2,1-2H3,(H,24,28)/t16?,21-/m0/s1
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| InChIKey |
QLGQRXYOSUSUDN-MRNPHLECSA-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: PT00903, C-C chemokine receptor type 5
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2