General Information of the Compound
| Compound ID |
CP0564621
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| Compound Name |
methyl (E)-3-[3-[cyclohexanecarbonyl-[[4-[4-(dimethylamino)phenyl]-1-bicyclo[2.2.2]octanyl]methyl]amino]phenyl]prop-2-enoate
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| Structure |
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| Formula |
C34H44N2O3
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| Molecular Weight |
528.737
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| Canonical SMILES |
COC(=O)\C=C\c1cccc(c1)N(CC12CCC(CC1)(CC2)c1ccc(cc1)N(C)C)C(=O)C1CCCCC1
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| InChI |
InChI=1S/C34H44N2O3/c1-35(2)29-15-13-28(14-16-29)34-21-18-33(19-22-34,20-23-34)25-36(32(38)27-9-5-4-6-10-27)30-11-7-8-26(24-30)12-17-31(37)39-3/h7-8,11-17,24,27H,4-6,9-10,18-23,25H2,1-3H3/b17-12+
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| InChIKey |
BSTCSVVVYCMKAR-SFQUDFHCSA-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