General Information of the Compound
| Compound ID |
CP0564618
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| Compound Name |
methyl (E)-3-[3-[cyclohexanecarbonyl-[[4-(4-cyclopropylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]amino]phenyl]prop-2-enoate
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| Structure |
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| Formula |
C35H43NO3
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| Molecular Weight |
525.733
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| Canonical SMILES |
COC(=O)\C=C\c1cccc(c1)N(CC12CCC(CC1)(CC2)c1ccc(cc1)C1CC1)C(=O)C1CCCCC1
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| InChI |
InChI=1S/C35H43NO3/c1-39-32(37)17-10-26-6-5-9-31(24-26)36(33(38)29-7-3-2-4-8-29)25-34-18-21-35(22-19-34,23-20-34)30-15-13-28(14-16-30)27-11-12-27/h5-6,9-10,13-17,24,27,29H,2-4,7-8,11-12,18-23,25H2,1H3/b17-10+
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| InChIKey |
KREDIGMOKHWQAG-LICLKQGHSA-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