General Information of the Compound
| Compound ID |
CP0543708
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| Compound Name |
methyl (E)-3-[3-[cyclohexanecarbonyl-[[4-(4-morpholin-4-ylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]amino]phenyl]prop-2-enoate
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| Structure |
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| Formula |
C36H46N2O4
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| Molecular Weight |
570.774
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| Canonical SMILES |
COC(=O)\C=C\c1cccc(c1)N(CC12CCC(CC1)(CC2)c1ccc(cc1)N1CCOCC1)C(=O)C1CCCCC1
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| InChI |
InChI=1S/C36H46N2O4/c1-41-33(39)15-10-28-6-5-9-32(26-28)38(34(40)29-7-3-2-4-8-29)27-35-16-19-36(20-17-35,21-18-35)30-11-13-31(14-12-30)37-22-24-42-25-23-37/h5-6,9-15,26,29H,2-4,7-8,16-25,27H2,1H3/b15-10+
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| InChIKey |
GCJBWJJTRLJXPY-XNTDXEJSSA-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