General Information of the Compound
| Compound ID |
CP0570355
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| Compound Name |
N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(5-ethoxy-1,2-oxazol-3-yl)phenyl]cyclohexanecarboxamide
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| Structure |
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| Formula |
C32H40N4O4
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| Molecular Weight |
544.696
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| Canonical SMILES |
CCOc1cc(no1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C1CCCCC1
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| InChI |
InChI=1S/C32H40N4O4/c1-2-38-27-20-26(34-39-27)24-9-6-10-25(19-24)36(29(37)23-7-4-3-5-8-23)21-31-13-16-32(17-14-31,18-15-31)30-33-28(35-40-30)22-11-12-22/h6,9-10,19-20,22-23H,2-5,7-8,11-18,21H2,1H3
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| InChIKey |
KXRSAEAUOUBYFC-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