General Information of the Compound
| Compound ID |
CP0564549
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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-(3-methoxyphenyl)phenyl]cyclohexanecarboxamide
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| Structure |
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| Formula |
C34H41N3O3
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| Molecular Weight |
539.72
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| Canonical SMILES |
COc1cccc(c1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C1CCCCC1
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| InChI |
InChI=1S/C34H41N3O3/c1-39-29-12-6-10-27(22-29)26-9-5-11-28(21-26)37(31(38)25-7-3-2-4-8-25)23-33-15-18-34(19-16-33,20-17-33)32-35-30(36-40-32)24-13-14-24/h5-6,9-12,21-22,24-25H,2-4,7-8,13-20,23H2,1H3
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| InChIKey |
BMJCAPSFAXHVTB-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