General Information of the Compound
| Compound ID |
CP0575799
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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-(2-methoxypyridin-4-yl)phenyl]cyclohexanecarboxamide
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| Structure |
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| Formula |
C33H40N4O3
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| Molecular Weight |
540.708
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| Canonical SMILES |
COc1cc(ccn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C1CCCCC1
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| InChI |
InChI=1S/C33H40N4O3/c1-39-28-21-26(12-19-34-28)25-8-5-9-27(20-25)37(30(38)24-6-3-2-4-7-24)22-32-13-16-33(17-14-32,18-15-32)31-35-29(36-40-31)23-10-11-23/h5,8-9,12,19-21,23-24H,2-4,6-7,10-11,13-18,22H2,1H3
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| InChIKey |
CMWKIZCTJVNUGN-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