General Information of the Compound
| Compound ID |
CP0543709
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| Compound Name |
methyl (E)-3-[3-[cyclohexanecarbonyl-[[4-(4-methoxyphenyl)-1-bicyclo[2.2.2]octanyl]methyl]amino]phenyl]prop-2-enoate
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| Structure |
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| Formula |
C33H41NO4
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| Molecular Weight |
515.694
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| Canonical SMILES |
COC(=O)\C=C\c1cccc(c1)N(CC12CCC(CC1)(CC2)c1ccc(OC)cc1)C(=O)C1CCCCC1
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| InChI |
InChI=1S/C33H41NO4/c1-37-29-14-12-27(13-15-29)33-20-17-32(18-21-33,19-22-33)24-34(31(36)26-8-4-3-5-9-26)28-10-6-7-25(23-28)11-16-30(35)38-2/h6-7,10-16,23,26H,3-5,8-9,17-22,24H2,1-2H3/b16-11+
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| InChIKey |
TXGFQBKOECKEBC-LFIBNONCSA-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