General Information of the Compound
| Compound ID |
CP0568285
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| Compound Name |
methyl (E)-3-[3-[cyclohexanecarbonyl-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]amino]phenyl]prop-2-enoate
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| Structure |
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| Formula |
C31H39N3O4
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| Molecular Weight |
517.67
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| Canonical SMILES |
COC(=O)\C=C\c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C1CCCCC1
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| InChI |
InChI=1S/C31H39N3O4/c1-37-26(35)13-10-22-6-5-9-25(20-22)34(28(36)24-7-3-2-4-8-24)21-30-14-17-31(18-15-30,19-16-30)29-32-27(33-38-29)23-11-12-23/h5-6,9-10,13,20,23-24H,2-4,7-8,11-12,14-19,21H2,1H3/b13-10+
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| InChIKey |
KAOLQSWRDPEPEY-JLHYYAGUSA-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